Isobutanol

Athanor · official

C₄H₁₀O · 74.12 g/mol

IUPAC name: 2-methylpropan-1-ol

Also called isobutyl alcohol, IBA, 2-methyl-1-propanol

Solvents

Open in Athanor

Drawn from its SMILES with RDKit

DangerFlammable liquid and vapor · Causes skin irritation · Causes serious eye damage · May cause respiratory irritation · May cause drowsiness or dizziness

Names and identifiers

IUPAC name: 2-methylpropan-1-ol
Synonyms: isobutyl alcohol, IBA, 2-methyl-1-propanol
+ 38 more
2-Methyl-1-propanol, ISOBUTYL ALCOHOL, 2-Methylpropan-1-ol, Isopropylcarbinol, 1-Propanol, 2-methyl-, 1-Hydroxymethylpropane, Iso-butyl alcohol, 2-Methylpropyl alcohol, Isobutylalkohol, 2-Methylpropanol, 2-Methyl propanol, Alcool isobutylique, Fermentation butyl alcohol, RCRA waste number U140, FEMA No. 2179, FEMA Number 2179, DTXSID0021759, 56F9Z98TEM, NSC-5708, DTXCID601759, CHEBI:46645, RefChem:791617, 201-148-0, i-Butyl alcohol, i-Butanol, 2-Methylpropanol-1, Isopropyl carbitol, NSC 5708, 2-methyl-propanol, MFCD00004740, Methyl-2 propanol-1, iso-C4H9OH, 2-methyl-1-propanyl alcohol, Isobutylalkohol [Czech], iso-butanol, Isobutyl alcohol (natural), Isopropyl carbinol, Alcool isobutylique [French]
Molecular formula: C₄H₁₀O
Empirical formula: C₄H₁₀O
Molecular weight: 74.12 g/mol
Exact mass: 74.07316
CAS number: 78-83-1
PubChem CID: 6560
Canonical SMILES: CC(C)CO
Isomeric SMILES: CC(C)CO
InChI: InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3
InChIKey: ZXEKIIBDNHEJCQ-UHFFFAOYSA-N
Molfile

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

Physical properties

TemperaturePressureDensity

Appearance: Colorless, oily liquid[6]
6 values
From Hazardous Substances Data Bank (HSDB), the most authoritative source here.
Value As written Source
– Isobutanol appears as a clear colorless liquid with a sweet odor. Flash point 85 - 100 °F. Less dense than water. Vapors heavier than air. [1] CAMEO Chemicals
– CBI; Liquid [2] EPA Chemical Data Reporting (CDR)
– COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR. [3] ILO-WHO International Chemical Safety Cards (ICSCs)
– Colorless, oily liquid with a sweet, musty odor. [4] Occupational Safety and Health Administration (OSHA)
– Colorless, oily liquid with a sweet, musty odor. [5] The National Institute for Occupational Safety and Health (NIOSH)
–shown Colorless, oily liquid [6] Hazardous Substances Data Bank (HSDB)cites NIOSH. NIOSH Pocket Guide to Chemical Hazards. Department of Health & Human Services, Centers for Disease Control & Prevention. National Institute for Occupational Safety & Health. DHHS (NIOSH) Publication No. 2010-168 (2010). Available from: https://www.cdc.gov/niosh/npg
Odor: Sweet, musty odor[6]
4 values
From Hazardous Substances Data Bank (HSDB), the most authoritative source here.
Value As written Source
–shown Sweet, musty odor [6] Hazardous Substances Data Bank (HSDB)cites NIOSH. NIOSH Pocket Guide to Chemical Hazards. Department of Health & Human Services, Centers for Disease Control & Prevention. National Institute for Occupational Safety & Health. DHHS (NIOSH) Publication No. 2010-168 (2010). Available from: https://www.cdc.gov/niosh/npg
– Penetrating, wine-like, disagreeable odor [6] Hazardous Substances Data Bank (HSDB)cites Burdock, G.A. (ed.). Fenaroli's Handbook of Flavor Ingredients. 5th ed.Boca Raton, FL 2005, p. 919
– Suffocating odor of fusel oil [6] Hazardous Substances Data Bank (HSDB)cites Snyder, R. (ed.). Ethel Browning's Toxicity and Metabolism of Industrial Solvents. Second Edition. Volume 3 Alcohols and Esters. New York, NY: Elsevier, 1992., p. 46
– Slightly suffocating; nonresidual alcoholic [6] Hazardous Substances Data Bank (HSDB)cites U.S. Coast Guard, Department of Transportation. CHRIS - Hazardous Chemical Data. Volume II. Washington, D.C.: U.S. Government Printing Office, 1984-5.
Melting point: -108 °C[3]
5 values
4 of 5 sources agree on it (most common value).
Value As written Source
−108 °C -162 °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.
−108 °Cshown -108 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)
−108 °C -162 °F [4] Occupational Safety and Health Administration (OSHA)
−101.9 °C -101.9 °C [7] PAC Chemical Database, U.S. Department of Energy
−108 °C -162 °F [5] The National Institute for Occupational Safety and Health (NIOSH)
Boiling point: 107.89 °C @760 [mmHg][7]
5 values
5 of 5 sources agree on it (most common value).
Value As written Source
107 °C 225 °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.
108 °C 108 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)
108 °C 227 °F [4] Occupational Safety and Health Administration (OSHA)
107.9 °Cshown 107.89 °C @760 [mm Hg] [7] PAC Chemical Database, U.S. Department of Energy
108 °C 227 °F [5] The National Institute for Occupational Safety and Health (NIOSH)
Density: 0.8018 @ 20°C[7]
5 values
5 of 5 sources agree on it (most common value).
Value As written Source
– 0.802 at 68 °F (USCG, 1999) - Less dense 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.
– Relative density (water = 1): 0.80 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
– 0.8 [4] Occupational Safety and Health Administration (OSHA)
–shown 0.8018 @ 20°C [7] PAC Chemical Database, U.S. Department of Energy
– 0.80 [5] The National Institute for Occupational Safety and Health (NIOSH)
4 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 at 20 °C: 8.7[3]
7 values
From ILO-WHO International Chemical Safety Cards (ICSCs), the most authoritative source here.
Value As written Source
– 50 to 100 mg/mL at 61 °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, 66.5-90.9 g/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. 3-392
– In water, 8.5X10+4 mg/L at 25 °C [6] Hazardous Substances Data Bank (HSDB)cites PMID:7241352 Valvani SC et al; J Pharm Sci 70: 502-7 (1981)
– Solubility in water at 20 °C: 8.5 wt% [6] Hazardous Substances Data Bank (HSDB)cites Hahn HD et al; Butanols. Ullmann's Encyclopedia of Industrial Chemistry. 7th ed. (1999-2014). New York, NY: John Wiley & Sons. Online Posting Date: Jan 15, 2013.
– For more Solubility (Complete) data for ISOBUTYL ALCOHOL (6 total), please visit the HSDB record page. [6] Hazardous Substances Data Bank (HSDB)
–shown Solubility in water, g/100ml at 20 °C: 8.7 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
– 10% [5] The National Institute for Occupational Safety and Health (NIOSH)
log P: 0.8[3]
2 values
Sources disagree; from ILO-WHO International Chemical Safety Cards (ICSCs), the most authoritative.
Value As written Source
– log Kow = 0.76 [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. 10
–shown 0.8 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
Vapor pressure: Vapor pressure, kPa at 20 °C: 1.2[3]
5 values
2 of 4 sources agree on it (most common value).
Value As written Source
10 mmHg 10 mmHg at 71.1 °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.
9 mmHg 9 mmHg at 68 °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.
10.4 mmHg 10.4 mm Hg at 25 °C [6] Hazardous Substances Data Bank (HSDB)cites Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
9 mmHgshown Vapor pressure, kPa at 20 °C: 1.2 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
7.5 mmHg 7.5 [mm Hg] @20.9 °C [7] PAC Chemical Database, U.S. Department of Energy
2 more values were reported but failed the checks (unreadable or out of range), so they are not shown.
Flash point: 28 °C c.c.[3]
5 values
5 of 5 sources agree on it (most common value).
Value As written Source
28 °C 82 °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.
28 °C 82 °F [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. 2120
28 °Cshown 28 °C c.c. [3] ILO-WHO International Chemical Safety Cards (ICSCs)
28 °C 82 °F [4] Occupational Safety and Health Administration (OSHA)
28 °C 82 °F [5] The National Institute for Occupational Safety and Health (NIOSH)
Autoignition temperature: 415 °C[3]
3 values
2 of 3 sources agree on it (most common value).
Value As written Source
427 °C 800 °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.
415 °C 415 °C (780 °F) [6] Hazardous Substances Data Bank (HSDB)cites National Fire Protection Association; Fire Protection Guide to Hazardous Materials. 14TH Edition, Quincy, MA 2010, p. 325-75
415 °Cshown 415 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)
Viscosity: 4.0 mPa.s at 20 °C[6]

Value	As written	Source
–	Isobutanol appears as a clear colorless liquid with a sweet odor. Flash point 85 - 100 °F. Less dense than water. Vapors heavier than air.	[1] CAMEO Chemicals
–	CBI; Liquid	[2] EPA Chemical Data Reporting (CDR)
–	COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–	Colorless, oily liquid with a sweet, musty odor.	[4] Occupational Safety and Health Administration (OSHA)
–	Colorless, oily liquid with a sweet, musty odor.	[5] The National Institute for Occupational Safety and Health (NIOSH)
–shown	Colorless, oily liquid	[6] Hazardous Substances Data Bank (HSDB)cites NIOSH. NIOSH Pocket Guide to Chemical Hazards. Department of Health & Human Services, Centers for Disease Control & Prevention. National Institute for Occupational Safety & Health. DHHS (NIOSH) Publication No. 2010-168 (2010). Available from: https://www.cdc.gov/niosh/npg

Value	As written	Source
–shown	Sweet, musty odor	[6] Hazardous Substances Data Bank (HSDB)cites NIOSH. NIOSH Pocket Guide to Chemical Hazards. Department of Health & Human Services, Centers for Disease Control & Prevention. National Institute for Occupational Safety & Health. DHHS (NIOSH) Publication No. 2010-168 (2010). Available from: https://www.cdc.gov/niosh/npg
–	Penetrating, wine-like, disagreeable odor	[6] Hazardous Substances Data Bank (HSDB)cites Burdock, G.A. (ed.). Fenaroli's Handbook of Flavor Ingredients. 5th ed.Boca Raton, FL 2005, p. 919
–	Suffocating odor of fusel oil	[6] Hazardous Substances Data Bank (HSDB)cites Snyder, R. (ed.). Ethel Browning's Toxicity and Metabolism of Industrial Solvents. Second Edition. Volume 3 Alcohols and Esters. New York, NY: Elsevier, 1992., p. 46
–	Slightly suffocating; nonresidual alcoholic	[6] Hazardous Substances Data Bank (HSDB)cites U.S. Coast Guard, Department of Transportation. CHRIS - Hazardous Chemical Data. Volume II. Washington, D.C.: U.S. Government Printing Office, 1984-5.

Value	As written	Source
−108 °C	-162 °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.
−108 °Cshown	-108 °C	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
−108 °C	-162 °F	[4] Occupational Safety and Health Administration (OSHA)
−101.9 °C	-101.9 °C	[7] PAC Chemical Database, U.S. Department of Energy
−108 °C	-162 °F	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
107 °C	225 °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.
108 °C	108 °C	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
108 °C	227 °F	[4] Occupational Safety and Health Administration (OSHA)
107.9 °Cshown	107.89 °C @760 [mm Hg]	[7] PAC Chemical Database, U.S. Department of Energy
108 °C	227 °F	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
–	0.802 at 68 °F (USCG, 1999) - Less dense 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.
–	Relative density (water = 1): 0.80	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–	0.8	[4] Occupational Safety and Health Administration (OSHA)
–shown	0.8018 @ 20°C	[7] PAC Chemical Database, U.S. Department of Energy
–	0.80	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
–	50 to 100 mg/mL at 61 °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, 66.5-90.9 g/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. 3-392
–	In water, 8.5X10+4 mg/L at 25 °C	[6] Hazardous Substances Data Bank (HSDB)cites PMID:7241352 Valvani SC et al; J Pharm Sci 70: 502-7 (1981)
–	Solubility in water at 20 °C: 8.5 wt%	[6] Hazardous Substances Data Bank (HSDB)cites Hahn HD et al; Butanols. Ullmann's Encyclopedia of Industrial Chemistry. 7th ed. (1999-2014). New York, NY: John Wiley & Sons. Online Posting Date: Jan 15, 2013.
–	For more Solubility (Complete) data for ISOBUTYL ALCOHOL (6 total), please visit the HSDB record page.	[6] Hazardous Substances Data Bank (HSDB)
–shown	Solubility in water, g/100ml at 20 °C: 8.7	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–	10%	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
–	log Kow = 0.76	[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. 10
–shown	0.8	[3] ILO-WHO International Chemical Safety Cards (ICSCs)

Value	As written	Source
10 mmHg	10 mmHg at 71.1 °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.
9 mmHg	9 mmHg at 68 °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.
10.4 mmHg	10.4 mm Hg at 25 °C	[6] Hazardous Substances Data Bank (HSDB)cites Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
9 mmHgshown	Vapor pressure, kPa at 20 °C: 1.2	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
7.5 mmHg	7.5 [mm Hg] @20.9 °C	[7] PAC Chemical Database, U.S. Department of Energy

Value	As written	Source
28 °C	82 °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.
28 °C	82 °F	[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. 2120
28 °Cshown	28 °C c.c.	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
28 °C	82 °F	[4] Occupational Safety and Health Administration (OSHA)
28 °C	82 °F	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
427 °C	800 °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.
415 °C	415 °C (780 °F)	[6] Hazardous Substances Data Bank (HSDB)cites National Fire Protection Association; Fire Protection Guide to Hazardous Materials. 14TH Edition, Quincy, MA 2010, p. 325-75
415 °Cshown	415 °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: 5
Rings: 0
Aromatic rings: 0
Fraction sp³ carbons (Fsp3): 1
H-bond donors: 1
H-bond acceptors: 1
Rotatable bonds: 1
TPSA (Å²): 20.2
Formal charge: 0
XLogP3: 0.8 PubChem
Complexity: 17 PubChem
Stereocenters: None
Double-bond geometry: None specified
Point group: C1 of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)

Elemental analysis

C64.82%
H13.60%
O21.58%

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: 0.63 Crippen (Wildman and Crippen 1999)
log S (water solubility): -0.63 ESOL (Delaney 2004), log mol/L
Synthetic accessibility: 1.86 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

Molecular weight ≤ 500: 74.12
log P ≤ 5 (Crippen): 0.63
H-bond donors ≤ 5: 1
H-bond acceptors ≤ 10: 1

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].

Flammable
Corrosive
Harmful or irritant

NFPA 704[6]

H226Flammable liquid and vapor
H315Causes skin irritation
H318Causes serious eye damage
H335May cause respiratory irritation
H336May cause drowsiness or dizziness

Precautionary statements: P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

View all classifications (4)

[8] Regulation (EC) No 1272/2008 of the European Parliament and of the Council · DangerH226, H315, H318, H335, H336
[9] European Chemicals Agency (ECHA)This chemical does not meet GHS hazard criteria for < 0.1% (1 of 3818) of reports.
[9] European Chemicals Agency (ECHA) · 3,818 reports · DangerH226, H318, H335, H336
[6] Hazardous Substances Data Bank (HSDB) · DangerH226, H303, H313, H315, H318, H333, H335, H336, H401

Exposure limits

PEL-TWA (8-Hour Time Weighted Average): 100 ppm (300 mg/m³)[4]
PEL: TWA 100 ppm (300 mg/m3) See Appendix G[5]
REL-TWA (Time Weighted Average): 50 ppm (150 mg/m³)[4]
REL: TWA 50 ppm (150 mg/m3)[5]
TLV: 50 ppm as TWA.[3]
TLV-TWA (Time Weighted Average): 50 ppm [1973][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: · 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 flush promptly - If this chemical contacts the skin, flush the contaminated skin with water promptly. If this chemical penetrates the clothing, immediately remove the clothing and flush the skin with water promptly.[5]

Storage

Fireproof. Separated from strong oxidants and aluminium.[3]
Keep container tightly closed in a dry and well-ventilated place. Containers which are opened must be carfully resealed and kept upright to prevent leakage.[6]
Keep away from heat and open flame.[6]

Incompatibilities

Contact with strong oxidizers may cause fires & explosions.[6]
Strong oxidizers.[6]
... Corrosive & will attack some forms of plastics, rubber, & coatings.[6]
Ignites on contact with chromium trioxide. Reacts with aluminum at 38 °C (100 °F) to form explosive hydrogen gas.[6]

Safety data sheets on the supplier’s page: abcr GmbH, Angene Chemical, VladaChem.

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.