Resorcinol

Athanor · official

C₆H₆O₂ · 110.11 g/mol

IUPAC name: benzene-1,3-diol

Also called benzene-1,3-diol, resorcin

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Open in Athanor

Drawn from its SMILES with RDKit

DangerHarmful if swallowed · Causes skin irritation · May cause an allergic skin reaction · Causes serious eye irritation · Causes damage to organs · Very toxic to aquatic life

Names and identifiers

IUPAC name: benzene-1,3-diol
Synonyms: benzene-1,3-diol, resorcin, 1,3-Benzenediol
+ 36 more
1,3-Dihydroxybenzene, Resorcin, m-Hydroxyphenol, m-Hydroquinone, m-Dihydroxybenzene, 3-Hydroxyphenol, Resorcine, m-Benzenediol, m-Dioxybenzene, Pelagol RS, Dihydroxybenzol, Pelagol Grey RS, Resorzin, Developer O, Developer R, Developer RS, Fouramine RS, Fourrine EW, Resorcinolum, Fourrine 79, Nako TGG, Durafur developer G, C.I. Oxidation Base 31, Phenol, m-hydroxy-, C.I. Developer 4, Benzene, m-dihydroxy-, Rcra waste number U201, FEMA No. 3589, Benzene, 1,3-dihydroxy-, 3-Hydroxycyclohexadien-1-one, Resorcinum, DTXSID2021238, Resorcinol (USP), NCI-C05970, C.I. 76505, YUL4LO94HK
Molecular formula: C₆H₆O₂
Empirical formula: C₃H₃O
Molecular weight: 110.11 g/mol
Exact mass: 110.03678
CAS number: 108-46-3
PubChem CID: 5054
Canonical SMILES: C1=CC(=CC(=C1)O)O
Isomeric SMILES: C1=CC(=CC(=C1)O)O
InChI: InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H
InChIKey: GHMLBKRAJCXXBS-UHFFFAOYSA-N
Molfile

Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.

Physical properties

TemperaturePressureDensity

Appearance: Rhombic tablets and pyramids[6]
8 values
From Hazardous Substances Data Bank (HSDB), the most authoritative source here.
Value As written Source
– Resorcinol is a very white crystalline solid that becomes pink on exposure to light if not completely pure. Burns although ignition is difficult. Density approximately 1.28 g / cm3. Irritating to skin and eyes. Toxic by skin absorption. Used to make plastics and pharmaceuticals. [1] CAMEO Chemicals
– Other Solid; Dry Powder; CBI; Large Crystals [2] EPA Chemical Data Reporting (CDR)
– WHITE CRYSTALS. TURNS PINK ON EXPOSURE TO AIR AND LIGHT OR ON CONTACT WITH IRON. [3] ILO-WHO International Chemical Safety Cards (ICSCs)
– White needles, plates, crystals, flakes, or powder with a faint odor. Turns pink on exposure to light if not completely pure. [4] Occupational Safety and Health Administration (OSHA)
– White needles, plates, crystals, flakes, or powder with a faint odor. [Note: Turns pink on exposure to air or light, or contact with iron.] [5] The National Institute for Occupational Safety and Health (NIOSH)
–shown Rhombic tablets and pyramids [6] Hazardous Substances Data Bank (HSDB)cites Cavender FL, O'Donohue J; Phenol and Phenolics. Patty's Toxicology. 6th ed. (1999-2014). New York, NY: John Wiley & Sons, Inc. On-line posting date: 17 Aug 2012
– Platelets from ethanol. Very white crystals [6] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr. (ed) Sax's Dangerous Properties of Industrial Materials. 11th Edition. Wiley-Interscience, Wiley & Sons, Inc. Hoboken, NJ. 2004., p. V3: 3150
– For more Color/Form (Complete) data for RESORCINOL (6 total), please visit the HSDB record page. [6] Hazardous Substances Data Bank (HSDB)
Odor: Faint, characteristic odor[6]
Melting point: 109.4 °C[7]
5 values
5 of 5 sources agree on it (most common value).
Value As written Source
109 to 111 °C 228 to 232 °F (NTP, 1992) [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
110 °C 110 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)
109 to 111 °C 228-232 °F [4] Occupational Safety and Health Administration (OSHA)
109.4 °Cshown 109.4 °C [7] PAC Chemical Database, U.S. Department of Energy
109 °C 228 °F [5] The National Institute for Occupational Safety and Health (NIOSH)
2 more values were reported but failed the checks (unreadable or out of range), so they are not shown.
Boiling point: 276.5 °C @760 [mmHg][7]
5 values
4 of 5 sources agree on it (most common value).
Value As written Source
277 to 280 °C 531 to 536 °F at 760 mmHg (NTP, 1992) [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
280 °C 280 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)
277 °C 531 °F [4] Occupational Safety and Health Administration (OSHA)
276.5 °Cshown 276.5 °C @760 [mm Hg] [7] PAC Chemical Database, U.S. Department of Energy
277 °C 531 °F [5] The National Institute for Occupational Safety and Health (NIOSH)
Density: 1.278 @ 20°C[7]
6 values
4 of 6 sources agree on it (most common value).
Value As written Source
– 1.2 at 68 °F (USCG, 1999) - Denser than water [1] CAMEO Chemicalscites U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office.
– 20 °C): 1.278 (alpha-phase), 1.327 (beta phase) [6] Hazardous Substances Data Bank (HSDB)cites Schmiedel KW, Decker D; Resorcinol. Ullmann's Encyclopedia of Industrial Chemistry. 7th ed. (1999-2014). New York, NY: John Wiley & Sons. Online Posting Date: 15 Oct 2011
– 1.28 g/cm³ [3] ILO-WHO International Chemical Safety Cards (ICSCs)
– 1.27 at 68 °F [4] Occupational Safety and Health Administration (OSHA)
–shown 1.278 @ 20°C [7] PAC Chemical Database, U.S. Department of Energy
– 1.27 [5] The National Institute for Occupational Safety and Health (NIOSH)
3 more values were reported but failed the checks (unreadable or out of range), so they are not shown.
Solubility in water: Solubility in water, g/100ml: 140[3]
5 values
From ILO-WHO International Chemical Safety Cards (ICSCs), the most authoritative source here.
Value As written Source
– greater than or equal to 100 mg/mL at 65.3 °F (NTP, 1992) [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
– In water, 7.17X10+5 mg/L at 25 °C [6] Hazardous Substances Data Bank (HSDB)cites Yalkowsky, S.H., He, Yan, Jain, P. Handbook of Aqueous Solubility Data Second Edition. CRC Press, Boca Raton, FL 2010, p. 255
– Soluble in DMSO /dimethyl sulfoxide/, acetone at greater than or equal to 100 mg/mL at 18 °C [6] Hazardous Substances Data Bank (HSDB)cites Keith, L.H., D.B. Walters, (eds.). Compendium of Safety Data Sheets for Research and Industrial Chemicals. Parts I,II,and III. Deerfield Beach, FL: VCH Publishers, 1985., p. 1460
–shown Solubility in water, g/100ml: 140 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
– 110% [5] The National Institute for Occupational Safety and Health (NIOSH)
log P: 0.79-0.93[3]
2 values
2 of 2 sources agree on it (most common value).
Value As written Source
– log Kow = 0.80 [6] Hazardous Substances Data Bank (HSDB)cites Hansch, C., Leo, A., D. Hoekman. Exploring QSAR - Hydrophobic, Electronic, and Steric Constants. Washington, DC: American Chemical Society., 1995., p. 20
–shown 0.79-0.93 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
pKa: pKa1 = 9.30[6]
2 values
Only one source reports it.
Value As written Source
–shown pKa1 = 9.30 [6] Hazardous Substances Data Bank (HSDB)cites Serjeant, E.P., Dempsey B.; Ionisation Constants of Organic Acids in Aqueous Solution. International Union of Pure and Applied Chemistry (IUPAC). IUPAC Chemical Data Series No. 23, 1979. New York, New York: Pergamon Press, Inc., p. 162
– pKa2 = 11.06 [6] Hazardous Substances Data Bank (HSDB)cites Serjeant, E.P., Dempsey B.; Ionisation Constants of Organic Acids in Aqueous Solution. International Union of Pure and Applied Chemistry (IUPAC). IUPAC Chemical Data Series No. 23, 1979. New York, New York: Pergamon Press, Inc., p. 162
Vapor pressure: Vapor pressure = 1 mmHg at 108.4 °C[6]
5 values
2 of 4 sources agree on it (most common value).
Value As written Source
1 mmHg 1 mmHg at 227.1 °F [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
0.0002 mmHg 0.0002 mmHg at 77 °F (NTP, 1992) [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
1 mmHgshown Vapor pressure = 1 mm Hg at 108.4 °C [6] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr. (ed) Sax's Dangerous Properties of Industrial Materials. 11th Edition. Wiley-Interscience, Wiley & Sons, Inc. Hoboken, NJ. 2004., p. V3: 3150
0.00049 mmHg Vapor pressure, Pa at 20 °C: 0.065 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
0.0002 mmHg 0.0002 mmHg at 77 °F [4] Occupational Safety and Health Administration (OSHA)
1 more value was reported but failed the checks (unreadable or out of range), so it is not shown.
Flash point: 127 °C c.c.[3]
7 values
5 of 5 sources agree on it (most common value).
Value As written Source
127 °C 261 °F (NTP, 1992) [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
127 °C 261 °F (Closed cup) [6] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr. (ed) Sax's Dangerous Properties of Industrial Materials. 11th Edition. Wiley-Interscience, Wiley & Sons, Inc. Hoboken, NJ. 2004., p. 3150
127 °C 127 °C (261 °F) (Closed cup) [6] Hazardous Substances Data Bank (HSDB)cites Sigma-Aldrich; Material Safety Data Sheet for Resorcinol. Product Number: 307521, Version 5.2 (Revision Date 06/27/2014). Available from, as of October 8, 2014: https://www.sigmaaldrich.com/safety-center.html
127 °C 261 °F (127 °C) (Closed cup) [6] Hazardous Substances Data Bank (HSDB)cites National Fire Protection Association; Fire Protection Guide to Hazardous Materials. 14TH Edition, Quincy, MA 2010, p. 325-103
127 °Cshown 127 °C c.c. [3] ILO-WHO International Chemical Safety Cards (ICSCs)
127 °C 261 °F [4] Occupational Safety and Health Administration (OSHA)
127 °C 261 °F [5] The National Institute for Occupational Safety and Health (NIOSH)
Autoignition temperature: 608 °C (1126 °F)[6]
3 values
3 of 3 sources agree on it (most common value).
Value As written Source
607 °C 1125 °F (USCG, 1999) [1] CAMEO Chemicalscites U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office.
608 °Cshown 1126 °F (608 °C) [6] Hazardous Substances Data Bank (HSDB)cites National Fire Protection Association; Fire Protection Guide to Hazardous Materials. 14TH Edition, Quincy, MA 2010, p. 325-103
607 °C 607 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)

Value	As written	Source
–	Resorcinol is a very white crystalline solid that becomes pink on exposure to light if not completely pure. Burns although ignition is difficult. Density approximately 1.28 g / cm3. Irritating to skin and eyes. Toxic by skin absorption. Used to make plastics and pharmaceuticals.	[1] CAMEO Chemicals
–	Other Solid; Dry Powder; CBI; Large Crystals	[2] EPA Chemical Data Reporting (CDR)
–	WHITE CRYSTALS. TURNS PINK ON EXPOSURE TO AIR AND LIGHT OR ON CONTACT WITH IRON.	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–	White needles, plates, crystals, flakes, or powder with a faint odor. Turns pink on exposure to light if not completely pure.	[4] Occupational Safety and Health Administration (OSHA)
–	White needles, plates, crystals, flakes, or powder with a faint odor. [Note: Turns pink on exposure to air or light, or contact with iron.]	[5] The National Institute for Occupational Safety and Health (NIOSH)
–shown	Rhombic tablets and pyramids	[6] Hazardous Substances Data Bank (HSDB)cites Cavender FL, O'Donohue J; Phenol and Phenolics. Patty's Toxicology. 6th ed. (1999-2014). New York, NY: John Wiley & Sons, Inc. On-line posting date: 17 Aug 2012
–	Platelets from ethanol. Very white crystals	[6] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr. (ed) Sax's Dangerous Properties of Industrial Materials. 11th Edition. Wiley-Interscience, Wiley & Sons, Inc. Hoboken, NJ. 2004., p. V3: 3150
–	For more Color/Form (Complete) data for RESORCINOL (6 total), please visit the HSDB record page.	[6] Hazardous Substances Data Bank (HSDB)

Value	As written	Source
109 to 111 °C	228 to 232 °F (NTP, 1992)	[1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
110 °C	110 °C	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
109 to 111 °C	228-232 °F	[4] Occupational Safety and Health Administration (OSHA)
109.4 °Cshown	109.4 °C	[7] PAC Chemical Database, U.S. Department of Energy
109 °C	228 °F	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
277 to 280 °C	531 to 536 °F at 760 mmHg (NTP, 1992)	[1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
280 °C	280 °C	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
277 °C	531 °F	[4] Occupational Safety and Health Administration (OSHA)
276.5 °Cshown	276.5 °C @760 [mm Hg]	[7] PAC Chemical Database, U.S. Department of Energy
277 °C	531 °F	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
–	1.2 at 68 °F (USCG, 1999) - Denser than water	[1] CAMEO Chemicalscites U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office.
–	20 °C): 1.278 (alpha-phase), 1.327 (beta phase)	[6] Hazardous Substances Data Bank (HSDB)cites Schmiedel KW, Decker D; Resorcinol. Ullmann's Encyclopedia of Industrial Chemistry. 7th ed. (1999-2014). New York, NY: John Wiley & Sons. Online Posting Date: 15 Oct 2011
–	1.28 g/cm³	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–	1.27 at 68 °F	[4] Occupational Safety and Health Administration (OSHA)
–shown	1.278 @ 20°C	[7] PAC Chemical Database, U.S. Department of Energy
–	1.27	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
–	greater than or equal to 100 mg/mL at 65.3 °F (NTP, 1992)	[1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
–	In water, 7.17X10+5 mg/L at 25 °C	[6] Hazardous Substances Data Bank (HSDB)cites Yalkowsky, S.H., He, Yan, Jain, P. Handbook of Aqueous Solubility Data Second Edition. CRC Press, Boca Raton, FL 2010, p. 255
–	Soluble in DMSO /dimethyl sulfoxide/, acetone at greater than or equal to 100 mg/mL at 18 °C	[6] Hazardous Substances Data Bank (HSDB)cites Keith, L.H., D.B. Walters, (eds.). Compendium of Safety Data Sheets for Research and Industrial Chemicals. Parts I,II,and III. Deerfield Beach, FL: VCH Publishers, 1985., p. 1460
–shown	Solubility in water, g/100ml: 140	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–	110%	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
–	log Kow = 0.80	[6] Hazardous Substances Data Bank (HSDB)cites Hansch, C., Leo, A., D. Hoekman. Exploring QSAR - Hydrophobic, Electronic, and Steric Constants. Washington, DC: American Chemical Society., 1995., p. 20
–shown	0.79-0.93	[3] ILO-WHO International Chemical Safety Cards (ICSCs)

Value	As written	Source
–shown	pKa1 = 9.30	[6] Hazardous Substances Data Bank (HSDB)cites Serjeant, E.P., Dempsey B.; Ionisation Constants of Organic Acids in Aqueous Solution. International Union of Pure and Applied Chemistry (IUPAC). IUPAC Chemical Data Series No. 23, 1979. New York, New York: Pergamon Press, Inc., p. 162
–	pKa2 = 11.06	[6] Hazardous Substances Data Bank (HSDB)cites Serjeant, E.P., Dempsey B.; Ionisation Constants of Organic Acids in Aqueous Solution. International Union of Pure and Applied Chemistry (IUPAC). IUPAC Chemical Data Series No. 23, 1979. New York, New York: Pergamon Press, Inc., p. 162

Value	As written	Source
1 mmHg	1 mmHg at 227.1 °F	[1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
0.0002 mmHg	0.0002 mmHg at 77 °F (NTP, 1992)	[1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
1 mmHgshown	Vapor pressure = 1 mm Hg at 108.4 °C	[6] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr. (ed) Sax's Dangerous Properties of Industrial Materials. 11th Edition. Wiley-Interscience, Wiley & Sons, Inc. Hoboken, NJ. 2004., p. V3: 3150
0.00049 mmHg	Vapor pressure, Pa at 20 °C: 0.065	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
0.0002 mmHg	0.0002 mmHg at 77 °F	[4] Occupational Safety and Health Administration (OSHA)

Value	As written	Source
127 °C	261 °F (NTP, 1992)	[1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
127 °C	261 °F (Closed cup)	[6] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr. (ed) Sax's Dangerous Properties of Industrial Materials. 11th Edition. Wiley-Interscience, Wiley & Sons, Inc. Hoboken, NJ. 2004., p. 3150
127 °C	127 °C (261 °F) (Closed cup)	[6] Hazardous Substances Data Bank (HSDB)cites Sigma-Aldrich; Material Safety Data Sheet for Resorcinol. Product Number: 307521, Version 5.2 (Revision Date 06/27/2014). Available from, as of October 8, 2014: https://www.sigmaaldrich.com/safety-center.html
127 °C	261 °F (127 °C) (Closed cup)	[6] Hazardous Substances Data Bank (HSDB)cites National Fire Protection Association; Fire Protection Guide to Hazardous Materials. 14TH Edition, Quincy, MA 2010, p. 325-103
127 °Cshown	127 °C c.c.	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
127 °C	261 °F	[4] Occupational Safety and Health Administration (OSHA)
127 °C	261 °F	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
607 °C	1125 °F (USCG, 1999)	[1] CAMEO Chemicalscites U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office.
608 °Cshown	1126 °F (608 °C)	[6] Hazardous Substances Data Bank (HSDB)cites National Fire Protection Association; Fire Protection Guide to Hazardous Materials. 14TH Edition, Quincy, MA 2010, p. 325-103
607 °C	607 °C	[3] ILO-WHO International Chemical Safety Cards (ICSCs)

Each value as its source reports it, with the source's number after it (listed under References). Where several sources report a property, the row shows the value most of them agree on, the rule the app uses; open the values to see every one.

Calculated

Heavy atoms: 8
Rings: 1
Aromatic rings: 1
Fraction sp³ carbons (Fsp3): 0
H-bond donors: 2
H-bond acceptors: 2
Rotatable bonds: 0
TPSA (Å²): 40.5
Formal charge: 0
XLogP3: 0.8 PubChem
Complexity: 64 PubChem
Stereocenters: None
Double-bond geometry: None specified
Point group: Cs of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)

Elemental analysis

C65.45%
H5.49%
O29.06%

Isotope pattern

Each peak is a nominal mass with its abundance-weighted exact mass, as a percentage of the tallest, from IUPAC natural isotope abundances.

Computed from the structure with RDKit 2026.09 when this page was built, beside PubChem's own computed values from its record; where the two differ, both are shown.

Predicted

log P: 1.1 Crippen (Wildman and Crippen 1999)
log S (water solubility): -1.77 ESOL (Delaney 2004), log mol/L
Synthetic accessibility: 1.69 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

Molecular weight ≤ 500: 110.11
log P ≤ 5 (Crippen): 1.1
H-bond donors ≤ 5: 2
H-bond acceptors ≤ 10: 2

Passes all four rules.

¹³C NMR shifts, predicted

Predictions, not measurements; each names its method. A measured log P, where a source reports one, is under Physical properties.

Safety

Danger

Harmonized EU classification (CLP Annex VI). Source [8].

Harmful or irritant
Health hazard
Environmental hazard

NFPA 704[6]

H302Harmful if swallowed
H315Causes skin irritation
H317May cause an allergic skin reaction
H319Causes serious eye irritation
H370Causes damage to organs
H400Very toxic to aquatic life

Precautionary statements: P260, P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P351+P338, P308+P316, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P405, P501

View all classifications (3)

[8] Regulation (EC) No 1272/2008 of the European Parliament and of the Council · DangerH302, H315, H317, H319, H370, H400
[9] European Chemicals Agency (ECHA) · 2,727 reports · DangerH317, H319, H370, H371, H400
[6] Hazardous Substances Data Bank (HSDB) · DangerH302, H315, H318, H400, H410

Exposure limits

PEL: None See Appendix G[5]
REL-TWA (Time Weighted Average): 10 ppm (45 mg/m³)[4]
REL-STEL (Short Term Exposure Limit): 20 ppm (90 mg/m³)[4]
REL: TWA 10 ppm (45 mg/m3) ST 20 ppm (90 mg/m3)[5]
TLV: 10 ppm as TWA; 20 ppm as STEL; A4 (not classifiable as a human carcinogen).[3]
TLV-TWA (Time Weighted Average): 10 ppm [1992][4]

First aid

Eyes: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. Immediately transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. Skin: Immediately flood affected skin with water while removing and isolating all contaminated clothing.[1]
General First Aid: · Call 911 or emergency medical service. · Ensure that medical personnel are aware of the material(s) involved, take precautions to protect themselves and avoid contamination. · Move victim to fresh air if it can be done safely. · Administer oxygen if breathing is difficult. · If victim is not breathing: -- DO NOT perform mouth-to-mouth resuscitation; the victim may have ingested or inhaled the substance. -- If equipped and pulse detected, wash face and mouth, then give artificial respiration using a proper respiratory medical device (bag-valve mask, pocket mask equipped…[10]
(General first aid procedures) Eye: Irrigate immediately - If this chemical contacts the eyes, immediately wash (irrigate) the eyes with large amounts of water, occasionally lifting the lower and upper lids. Get medical attention immediately. Skin: Water wash immediately - If this chemical contacts the skin, immediately wash the contaminated skin with water. If this chemical penetrates the clothing, immediately remove the clothing and wash the skin with water.[5]
Fresh air, rest. Artificial respiration may be needed. Refer for medical attention.[3]

Storage

Separated from incompatible materials and food and feedstuffs. See Chemical Dangers.[3]
Separated from incompatible materials and food and feedstuffs.[6]
Conditions for safe storage, including any incompatibilities: Keep container tightly closed in a dry and well-ventilated place. Air and light sensitive.[6]

Incompatibilities

Can react with oxidizing materials[6]
Aquatic reactions: Abiotic auto-oxidation at 25 °C: T1/2: 1612 hours at pH 9.0[6]
Acetanilide, albumin, alkalis, antipyrine, camphor, ferric salts, menthol, spirit nitrous ether, strong oxidizers & bases [Note: Hygroscopic (i.e., absorbs moisture from the air)].[6]
Potentially explosive reaction with concentrated nitric acid.[6]

Safety data sheets on the supplier’s page: Thermo Fisher Scientific, Sigma-Aldrich, MedChemexpress MCE.

Always read the supplier’s safety data sheet before working with it.

Spectra

Experimental spectra held by these sources; each link opens the source's own record.

Literature

Reading PubChem, OpenAlex and GSRS…

Bioactivity

Reading ChEMBL…

References

[1]CAMEO Chemicals · Public domain (NOAA) · via PubChem · retrieved 2026-10-14
[2]EPA Chemical Data Reporting (CDR) · Public domain (US EPA) · via PubChem · retrieved 2026-10-14
[3]ILO-WHO International Chemical Safety Cards (ICSCs) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
[4]Occupational Safety and Health Administration (OSHA) · Public domain (US DOL) · via PubChem · retrieved 2026-10-14
[5]The National Institute for Occupational Safety and Health (NIOSH) · Public domain (US CDC) · via PubChem · retrieved 2026-10-14
[6]Hazardous Substances Data Bank (HSDB) · Public domain (US NLM) · via PubChem · retrieved 2026-10-14
[7]PAC Chemical Database, U.S. Department of Energy · Public domain (US DOE) · via PubChem · retrieved 2026-10-14
[8]Regulation (EC) No 1272/2008 of the European Parliament and of the Council · EU reuse policy, CC BY 4.0 · via PubChem · retrieved 2026-10-14
[9]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
[10]Emergency Response Guidebook (ERG) · Public domain (US DOT) · via PubChem · retrieved 2026-10-14
[11]NMRShiftDB · Linked only · via PubChem · retrieved 2026-10-14
[12]Human Metabolome Database (HMDB) · Linked only · via PubChem · retrieved 2026-10-14
[13]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
[14]MassBank of North America (MoNA) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
[15]NIST Mass Spectrometry Data Center · Linked only · via PubChem · retrieved 2026-10-14
[16]MassBank Europe · Linked only · via PubChem · retrieved 2026-10-14
·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
·Literature on PubChem

Data last updated 2026-10-14.