Catechol

Athanor · official

C₆H₆O₂ · 110.11 g/mol

IUPAC name: benzene-1,2-diol

Also called pyrocatechol, benzene-1,2-diol

Reagents Rings

Open in Athanor

Drawn from its SMILES with RDKit

DangerToxic if swallowed · Toxic in contact with skin · Causes skin irritation · Causes serious eye irritation · Suspected of causing genetic defects · May cause cancer

Names and identifiers

IUPAC name: benzene-1,2-diol
Synonyms: pyrocatechol, benzene-1,2-diol, 1,2-dihydroxybenzene
+ 35 more
1,2-benzenediol, pyrocatechin, 2-hydroxyphenol, o-Dihydroxybenzene, o-Hydroxyphenol, o-Benzenediol, o-Dioxybenzene, o-Hydroquinone, Phthalhydroquinone, Pyrocatechine, o-Phenylenediol, Oxyphenic acid, Fouramine PCH, Pelagol Grey C, Durafur developer C, Catechin (phenol), Fourrine 68, Benzene, o-dihydroxy-, Catechol (phenol), o-Diphenol, C.I. Oxidation Base 26, ortho-Hydroxyphenol, Pyrokatechin, Pyrokatechol, Katechol, ortho-Dihydroxybenzene, ortho-Benzenediol, ortho-Dioxybenzene, ortho-Hydroquinone, ortho-Phenylenediol, Pyrocatechinic acid, NCI-C55856, Phthalic alcohol, CI Oxidation Base 26, DTXSID3020257
Molecular formula: C₆H₆O₂
Empirical formula: C₃H₃O
Molecular weight: 110.11 g/mol
Exact mass: 110.03678
CAS number: 120-80-9
PubChem CID: 289
Canonical SMILES: C1=CC=C(C(=C1)O)O
Isomeric SMILES: C1=CC=C(C(=C1)O)O
InChI: InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
InChIKey: YCIMNLLNPGFGHC-UHFFFAOYSA-N
Molfile

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

Physical properties

TemperaturePressureDensity

Appearance: Colorless crystals, discolors to brown on exposure to air and light, especially when moist[6]
6 values
From Hazardous Substances Data Bank (HSDB), the most authoritative source here.
Value As written Source
– Solid; white; odorless. Sinks and mixes with water. (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.
– Large Crystals; Other Solid [2] EPA Chemical Data Reporting (CDR)
– COLOURLESS CRYSTALS WITH CHARACTERISTIC ODOUR. TURNS BROWN ON EXPOSURE TO AIR AND LIGHT. [3] ILO-WHO International Chemical Safety Cards (ICSCs)
– Colorless, crystalline solid with a faint odor. [4] Occupational Safety and Health Administration (OSHA)
– Colorless, crystalline solid with a faint odor. [Note: Discolors to brown in air & light.] [5] The National Institute for Occupational Safety and Health (NIOSH)
–shown Colorless crystals, discolors to brown on exposure to air and light, especially when moist [6] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 15th Edition. John Wiley & Sons, Inc. New York, NY 2007., p. 1062
Odor: Phenolic odor[6]
2 values
From Hazardous Substances Data Bank (HSDB), the most authoritative source here.
Value As written Source
– Faint characteristic odor [6] Hazardous Substances Data Bank (HSDB)cites Cavender F, 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
–shown Phenolic odor [6] Hazardous Substances Data Bank (HSDB)cites Kirk-Othmer Encyclopedia of Chemical Technology. 3rd ed., Volumes 1-26. New York, NY: John Wiley and Sons, 1978-1984., p. V13: 39 (1981)
Melting point: 104.6 °C[7]
5 values
5 of 5 sources agree on it (most common value).
Value As written Source
105 °C 221 °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.
105 °C 105 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)
105 °C 221 °F [4] Occupational Safety and Health Administration (OSHA)
104.6 °Cshown 104.6 °C [7] PAC Chemical Database, U.S. Department of Energy
105 °C 221 °F [5] The National Institute for Occupational Safety and Health (NIOSH)
Boiling point: 245.5 °C[3]
5 values
5 of 5 sources agree on it (most common value).
Value As written Source
245 °C 473 °F at 760 mmHg (sublimes) (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.
245.5 °Cshown 245.5 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)
246 °C 474 °F [4] Occupational Safety and Health Administration (OSHA)
245 °C 245 °C @760 [mm Hg] [7] PAC Chemical Database, U.S. Department of Energy
246 °C 474 °F [5] The National Institute for Occupational Safety and Health (NIOSH)
Density: 1.34[5]
6 values
6 of 6 sources agree on it (most common value).
Value As written Source
– 1.344 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.
– Density: 1.371 [6] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 15th Edition. John Wiley & Sons, Inc. New York, NY 2007., p. 1062
– Relative density (water = 1): 1.3 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
– 1.34 [4] Occupational Safety and Health Administration (OSHA)
– 1.344 @ 20°C [7] PAC Chemical Database, U.S. Department of Energy
–shown 1.34 [5] The National Institute for Occupational Safety and Health (NIOSH)
Solubility in water: Solubility in water, g/100ml at 20 °C: 43[3]
4 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 70.7 °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, 4.61X10+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
–shown Solubility in water, g/100ml at 20 °C: 43 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
– 44% [5] The National Institute for Occupational Safety and Health (NIOSH)
log P: 0.88[3]
2 values
2 of 2 sources agree on it (most common value).
Value As written Source
– log Kow = 0.88 [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 0.88 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
pKa: pKa1 = 9.45[6]
2 values
Only one source reports it.
Value As written Source
–shown pKa1 = 9.45 [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. 161
– pKa2 = 12.8 [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. 161
Vapor pressure: VP: 10 mmHg at 118.3 °C[6]
5 values
3 of 3 sources agree on it (most common value).
Value As written Source
5 mmHg 5 mmHg at 219 °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.
10 mmHg 10 mmHg at 244.9 °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.
10 mmHgshown VP: 10 mm Hg at 118.3 °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. 728
0.03 mmHg 3X10-2 mm Hg at 20 °C (extrapolated) [6] Hazardous Substances Data Bank (HSDB)cites Boublik, T., Fried, V., and Hala, E., The Vapour Pressures of Pure Substances. Second Revised Edition. Amsterdam: Elsevier, 1984.
10 mmHg 10 mmHg at 245 °F [4] Occupational Safety and Health Administration (OSHA)
2 more values were reported but failed the checks (unreadable or out of range), so they are not shown.
Flash point: 127.2 °C (open cup)[6]
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 260 °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. 325-47
127.2 °Cshown 127.2 °C (open cup) [6] Hazardous Substances Data Bank (HSDB)cites IARC. Monographs on the Evaluation of the Carcinogenic Risk of Chemicals to Humans. Geneva: World Health Organization, International Agency for Research on Cancer, 1972-PRESENT. (Multivolume work).
127 °C 127 °C (261 °F) (Closed cup) [6] Hazardous Substances Data Bank (HSDB)cites Sigma-Aldrich; Material Safety Data Sheet for 1,2-Dihydroxybenzene. Product Number: 135011, Version 5.3 (Revision Date 08/08/2014). Available from, as of October 8, 2014: https://www.sigmaaldrich.com/safety-center.html
127 °C 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: 510 °C[3]
2 values
2 of 2 sources agree on it (most common value).
Value As written Source
510 °C 510 °C [6] Hazardous Substances Data Bank (HSDB)cites International Program on Chemical Safety/European Commission; International Chemical Safety Card (ICSC) on Catechol (CAS # 120-80-9), ICSC No. 0411 (Peer Review Status: Jun 4, 1997, Validated). Available from, as of February 3, 2015: https://www.inchem.org/pages/icsc.html
510 °Cshown 510 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)

Value	As written	Source
–	Solid; white; odorless. Sinks and mixes with water. (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.
–	Large Crystals; Other Solid	[2] EPA Chemical Data Reporting (CDR)
–	COLOURLESS CRYSTALS WITH CHARACTERISTIC ODOUR. TURNS BROWN ON EXPOSURE TO AIR AND LIGHT.	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–	Colorless, crystalline solid with a faint odor.	[4] Occupational Safety and Health Administration (OSHA)
–	Colorless, crystalline solid with a faint odor. [Note: Discolors to brown in air & light.]	[5] The National Institute for Occupational Safety and Health (NIOSH)
–shown	Colorless crystals, discolors to brown on exposure to air and light, especially when moist	[6] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 15th Edition. John Wiley & Sons, Inc. New York, NY 2007., p. 1062

Value	As written	Source
–	Faint characteristic odor	[6] Hazardous Substances Data Bank (HSDB)cites Cavender F, 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
–shown	Phenolic odor	[6] Hazardous Substances Data Bank (HSDB)cites Kirk-Othmer Encyclopedia of Chemical Technology. 3rd ed., Volumes 1-26. New York, NY: John Wiley and Sons, 1978-1984., p. V13: 39 (1981)

Value	As written	Source
105 °C	221 °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.
105 °C	105 °C	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
105 °C	221 °F	[4] Occupational Safety and Health Administration (OSHA)
104.6 °Cshown	104.6 °C	[7] PAC Chemical Database, U.S. Department of Energy
105 °C	221 °F	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
245 °C	473 °F at 760 mmHg (sublimes) (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.
245.5 °Cshown	245.5 °C	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
246 °C	474 °F	[4] Occupational Safety and Health Administration (OSHA)
245 °C	245 °C @760 [mm Hg]	[7] PAC Chemical Database, U.S. Department of Energy
246 °C	474 °F	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
–	1.344 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.
–	Density: 1.371	[6] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 15th Edition. John Wiley & Sons, Inc. New York, NY 2007., p. 1062
–	Relative density (water = 1): 1.3	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–	1.34	[4] Occupational Safety and Health Administration (OSHA)
–	1.344 @ 20°C	[7] PAC Chemical Database, U.S. Department of Energy
–shown	1.34	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
–	greater than or equal to 100 mg/mL at 70.7 °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, 4.61X10+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
–shown	Solubility in water, g/100ml at 20 °C: 43	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–	44%	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
–	log Kow = 0.88	[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	0.88	[3] ILO-WHO International Chemical Safety Cards (ICSCs)

Value	As written	Source
–shown	pKa1 = 9.45	[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. 161
–	pKa2 = 12.8	[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. 161

Value	As written	Source
5 mmHg	5 mmHg at 219 °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.
10 mmHg	10 mmHg at 244.9 °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.
10 mmHgshown	VP: 10 mm Hg at 118.3 °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. 728
0.03 mmHg	3X10-2 mm Hg at 20 °C (extrapolated)	[6] Hazardous Substances Data Bank (HSDB)cites Boublik, T., Fried, V., and Hala, E., The Vapour Pressures of Pure Substances. Second Revised Edition. Amsterdam: Elsevier, 1984.
10 mmHg	10 mmHg at 245 °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	260 °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. 325-47
127.2 °Cshown	127.2 °C (open cup)	[6] Hazardous Substances Data Bank (HSDB)cites IARC. Monographs on the Evaluation of the Carcinogenic Risk of Chemicals to Humans. Geneva: World Health Organization, International Agency for Research on Cancer, 1972-PRESENT. (Multivolume work).
127 °C	127 °C (261 °F) (Closed cup)	[6] Hazardous Substances Data Bank (HSDB)cites Sigma-Aldrich; Material Safety Data Sheet for 1,2-Dihydroxybenzene. Product Number: 135011, Version 5.3 (Revision Date 08/08/2014). Available from, as of October 8, 2014: https://www.sigmaaldrich.com/safety-center.html
127 °C	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
510 °C	510 °C	[6] Hazardous Substances Data Bank (HSDB)cites International Program on Chemical Safety/European Commission; International Chemical Safety Card (ICSC) on Catechol (CAS # 120-80-9), ICSC No. 0411 (Peer Review Status: Jun 4, 1997, Validated). Available from, as of February 3, 2015: https://www.inchem.org/pages/icsc.html
510 °Cshown	510 °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: 0.9 PubChem
Complexity: 62 PubChem
Stereocenters: None
Double-bond geometry: None specified
Point group: C2 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: 1.5 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].

Acute toxicity
Health hazard

NFPA 704[6]

H301Toxic if swallowed
H311Toxic in contact with skin
H315Causes skin irritation
H319Causes serious eye irritation
H341Suspected of causing genetic defects
H350May cause cancer

Precautionary statements: P203, P262, P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P351+P338, P316, P318, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P405, P501

View all classifications (5)

[8] Regulation (EC) No 1272/2008 of the European Parliament and of the Council · DangerH301, H311, H315, H319, H341, H350
[9] European Chemicals Agency (ECHA) · 2,962 reports · DangerH301, H302, H311, H312, H317, H319, H341, H350
[9] European Chemicals Agency (ECHA) · WarningH317, H412
[9] European Chemicals Agency (ECHA) · WarningH315, H319, H412
[6] Hazardous Substances Data Bank (HSDB) · DangerH301, H311, H315, H317, H318, H332, H341, H401

Exposure limits

PEL: None See Appendix G[5]
REL-TWA (Time Weighted Average): 5 ppm (20 mg/m³)[4]
REL: TWA 5 ppm (20 mg/m3) [skin][5]
TLV: 5 ppm as TWA; (skin); A3 (confirmed animal carcinogen with unknown relevance to humans)[3]
TLV-TWA (Time Weighted Average): 5 ppm [1985][4]
IDLH: N.D. See: IDLH index[5]

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 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]
Remove contaminated clothes. Rinse skin with plenty of water or shower. Refer for medical attention .[3]

Storage

Well closed. Separated from oxidants and food and feedstuffs. Keep in the dark. Ventilation along the floor. Store in an area without drain or sewer access.[3]
Separated from strong oxidants, food and feedstuffs. Keep in the dark. Ventilation along the floor.[6]
Conditions for safe storage, including any incompatibilities: Keep container tightly closed in a dry and well-ventilated place. Store under inert gas. Air and light sensitive.[6]

Incompatibilities

Can react vigorously with oxidizing materials[6]
Strong oxidizers, nitric acid.[6]
The phenol is hypergolic with concentrated nitric acid, with a 1 ms ignition delay. (nitric acid)[6]
Incompatible with strong acids or bases, acid chlorides, anhydrides. Exothermic reactions with oxidants.[6]

Safety data sheets on the supplier’s page: Thermo Fisher Scientific, CymitQuimica, Mcule.

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]NMRShiftDB · Linked only · via PubChem · retrieved 2026-10-14
[11]Human Metabolome Database (HMDB) · Linked only · via PubChem · retrieved 2026-10-14
[12]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
[13]MassBank Europe · 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
·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
·Literature on PubChem

Data last updated 2026-10-14.