Butane

Athanor · official

C₄H₁₀ · 58.12 g/mol

Also called n-butane

Reagents

Open in Athanor

Drawn from its SMILES with RDKit

DangerExtremely flammable gas

Names and identifiers

IUPAC name: butane
Synonyms: n-butane, n-Butane, Diethyl
+ 36 more
Methylethylmethane, Butanen, Butani, Butyl hydride, HC 600, A 21 (lowing agent), R 600, n-Butan, 6LV4FOR43R, E943a, n-C4H10, INS NO.943, DTXSID7024665, INS-943, E-943, R-600, CHEBI:37808, E 943a, E-943a, normal-Butane, RefChem:6622, DTXCID404665, 203-448-7, butan, Butane [NF], butane phase II, Butane (NF), Butane, pure, Butanen [Dutch], Butani [Italian], BUTANE (D10), BUTANE (1-D1), BUTANE (2-D1), CCRIS 2279, HSDB 944, EINECS 203-448-7
Molecular formula: C₄H₁₀
Empirical formula: C₂H₅
Molecular weight: 58.12 g/mol
Exact mass: 58.07825
CAS number: 106-97-8
PubChem CID: 7843
Canonical SMILES: CCCC
Isomeric SMILES: CCCC
InChI: InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3
InChIKey: IJDNQMDRQITEOD-UHFFFAOYSA-N
Molfile

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

Physical properties

TemperaturePressureDensity

Appearance: Colorless gas [Note: Shipped as a liquefied compressed gas. A liquid below 31 degrees F][6]
6 values
From Hazardous Substances Data Bank (HSDB), the most authoritative source here.
Value As written Source
– Butane is a colorless gas with a faint petroleum-like odor. For transportation it may be stenched. It is shipped as a liquefied gas under its vapor pressure. Contact with the liquid can cause frostbite. It is easily ignited. Its vapors are heavier than air. Any leak can be either liquid or vapor. Under prolonged exposure to fire or intense heat the containers may rupture violently and rocket. It is used as a fuel, an aerosol propellant, in cigarette lighters, and to make other chemicals. [1] CAMEO Chemicals
– CBI; Other Solid; Gas Vapor; Gas Vapor; Liquid; Liquid [2] EPA Chemical Data Reporting (CDR)
– ODOURLESS COLOURLESS COMPRESSED LIQUEFIED GAS. [3] ILO-WHO International Chemical Safety Cards (ICSCs)
– Colorless gas with a gasoline-like or natural gas odor. [4] Occupational Safety and Health Administration (OSHA)
– Colorless gas with a gasoline-like or natural gas odor. [Note: Shipped as a liquefied compressed gas. A liquid below 31 °F.] [5] The National Institute for Occupational Safety and Health (NIOSH)
–shown Colorless gas [Note: Shipped as a liquefied compressed gas. A liquid below 31 degrees F] [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: Faint, disagreeable odor[6]
Melting point: -138.3 °C[7]
5 values
5 of 5 sources agree on it (most common value).
Value As written Source
−138.4 °C -217.1 °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.
−138 °C -138 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)
−138 °C -217 °F [4] Occupational Safety and Health Administration (OSHA)
−138.3 °Cshown -138.3 °C [7] PAC Chemical Database, U.S. Department of Energy
−138 °C -217 °F [5] The National Institute for Occupational Safety and Health (NIOSH)
Boiling point: -0.5 °C (31.1 °F) at 760 mmHg (NTP, 1992)[1]
4 values
4 of 4 sources agree on it (most common value).
Value As written Source
−0.5 °Cshown 31.1 °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.
−0.5 °C -0.5 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)
−1 °C 31 °F [4] Occupational Safety and Health Administration (OSHA)
−1 °C 31 °F [5] The National Institute for Occupational Safety and Health (NIOSH)
Density: 0.599 @25 °C[7]
7 values
5 of 6 sources agree on it (most common value).
Value As written Source
– 0.6 at 32 °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.
– 15.6 °C), kg/cu m: 583.0 /from table/ [6] Hazardous Substances Data Bank (HSDB)cites Gerhartz, W. (exec ed.). Ullmann's Encyclopedia of Industrial Chemistry. 5th ed.Vol A1: Deerfield Beach, FL: VCH Publishers, 1985 to Present., p. VA15: 349 (1990)
– Relative density (water = 1): 0.6 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
– 0.6 at 32 °F [4] Occupational Safety and Health Administration (OSHA)
–shown 0.599 @25 °C [7] PAC Chemical Database, U.S. Department of Energy
– 0.6 (Liquid at 31 °F) [5] The National Institute for Occupational Safety and Health (NIOSH)
– 2.11(relative gas density) [5] The National Institute for Occupational Safety and Health (NIOSH)
Solubility in water: Solubility in water, g/100ml at 20 °C: 0.0061[3]
5 values
From ILO-WHO International Chemical Safety Cards (ICSCs), the most authoritative source here.
Value As written Source
– 61 mg/L 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.
– In water, 61.2 mg/L at 25 °C [6] Hazardous Substances Data Bank (HSDB)cites McAuliffe C; Nature 200: 1092-3 (1963)
– Very soluble in ethanol, ethyl ether, chloroform [6] Hazardous Substances Data Bank (HSDB)cites Lide, D.R., G.W.A. Milne (eds.). Handbook of Data on Organic Compounds. Volume I. 3rd ed. CRC Press, Inc. Boca Raton ,FL. 1994., p. V2: 1769
–shown Solubility in water, g/100ml at 20 °C: 0.0061 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
– Slight [5] The National Institute for Occupational Safety and Health (NIOSH)
log P: 2.89[3]
2 values
2 of 2 sources agree on it (most common value).
Value As written Source
– log Kow = 2.89 [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 2.89 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
Vapor pressure: 1820 mmHg at 25 °C[6]
5 values
3 of 4 sources agree on it (most common value).
Value As written Source
760 mmHg 760 mmHg at 31.1 °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.
1823 mmHg 1823 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.
1820 mmHgshown 1820 mm Hg at 25 °C [6] Hazardous Substances Data Bank (HSDB)cites Riddick, J.A., W.B. Bunger, Sakano T.K. Techniques of Chemistry 4th ed., Volume II. Organic Solvents. New York, NY: John Wiley and Sons., 1985., p. 78
1600 mmHg Vapor pressure, kPa at 21.1 °C: 213.7 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
1820 mmHg 1820 [mm Hg] @25 °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: -60 °C[3]
4 values
4 of 4 sources agree on it (most common value).
Value As written Source
−60 °C -76 °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.
−60 °C Gas: -76 °F (-60 °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. 325-21
−60 °Cshown -60 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)
−60 °C -76 °F [4] Occupational Safety and Health Administration (OSHA)
Autoignition temperature: 287 °C (550 °F)[6]
3 values
2 of 3 sources agree on it (most common value).
Value As written Source
288 °C 550 °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.
288 °Cshown 550 °F (287 °C) [6] Hazardous Substances Data Bank (HSDB)cites National Fire Protection Association; Fire Protection Guide to Hazardous Materials. 14TH Edition, Quincy, MA 2010, p. 325-21
365 °C 365 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)

Value	As written	Source
–	Butane is a colorless gas with a faint petroleum-like odor. For transportation it may be stenched. It is shipped as a liquefied gas under its vapor pressure. Contact with the liquid can cause frostbite. It is easily ignited. Its vapors are heavier than air. Any leak can be either liquid or vapor. Under prolonged exposure to fire or intense heat the containers may rupture violently and rocket. It is used as a fuel, an aerosol propellant, in cigarette lighters, and to make other chemicals.	[1] CAMEO Chemicals
–	CBI; Other Solid; Gas Vapor; Gas Vapor; Liquid; Liquid	[2] EPA Chemical Data Reporting (CDR)
–	ODOURLESS COLOURLESS COMPRESSED LIQUEFIED GAS.	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–	Colorless gas with a gasoline-like or natural gas odor.	[4] Occupational Safety and Health Administration (OSHA)
–	Colorless gas with a gasoline-like or natural gas odor. [Note: Shipped as a liquefied compressed gas. A liquid below 31 °F.]	[5] The National Institute for Occupational Safety and Health (NIOSH)
–shown	Colorless gas [Note: Shipped as a liquefied compressed gas. A liquid below 31 degrees F]	[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
−138.4 °C	-217.1 °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.
−138 °C	-138 °C	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
−138 °C	-217 °F	[4] Occupational Safety and Health Administration (OSHA)
−138.3 °Cshown	-138.3 °C	[7] PAC Chemical Database, U.S. Department of Energy
−138 °C	-217 °F	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
−0.5 °Cshown	31.1 °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.
−0.5 °C	-0.5 °C	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
−1 °C	31 °F	[4] Occupational Safety and Health Administration (OSHA)
−1 °C	31 °F	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
–	0.6 at 32 °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.
–	15.6 °C), kg/cu m: 583.0 /from table/	[6] Hazardous Substances Data Bank (HSDB)cites Gerhartz, W. (exec ed.). Ullmann's Encyclopedia of Industrial Chemistry. 5th ed.Vol A1: Deerfield Beach, FL: VCH Publishers, 1985 to Present., p. VA15: 349 (1990)
–	Relative density (water = 1): 0.6	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–	0.6 at 32 °F	[4] Occupational Safety and Health Administration (OSHA)
–shown	0.599 @25 °C	[7] PAC Chemical Database, U.S. Department of Energy
–	0.6 (Liquid at 31 °F)	[5] The National Institute for Occupational Safety and Health (NIOSH)
–	2.11(relative gas density)	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
–	61 mg/L 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.
–	In water, 61.2 mg/L at 25 °C	[6] Hazardous Substances Data Bank (HSDB)cites McAuliffe C; Nature 200: 1092-3 (1963)
–	Very soluble in ethanol, ethyl ether, chloroform	[6] Hazardous Substances Data Bank (HSDB)cites Lide, D.R., G.W.A. Milne (eds.). Handbook of Data on Organic Compounds. Volume I. 3rd ed. CRC Press, Inc. Boca Raton ,FL. 1994., p. V2: 1769
–shown	Solubility in water, g/100ml at 20 °C: 0.0061	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–	Slight	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
–	log Kow = 2.89	[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	2.89	[3] ILO-WHO International Chemical Safety Cards (ICSCs)

Value	As written	Source
760 mmHg	760 mmHg at 31.1 °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.
1823 mmHg	1823 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.
1820 mmHgshown	1820 mm Hg at 25 °C	[6] Hazardous Substances Data Bank (HSDB)cites Riddick, J.A., W.B. Bunger, Sakano T.K. Techniques of Chemistry 4th ed., Volume II. Organic Solvents. New York, NY: John Wiley and Sons., 1985., p. 78
1600 mmHg	Vapor pressure, kPa at 21.1 °C: 213.7	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
1820 mmHg	1820 [mm Hg] @25 °C	[7] PAC Chemical Database, U.S. Department of Energy

Value	As written	Source
−60 °C	-76 °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.
−60 °C	Gas: -76 °F (-60 °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. 325-21
−60 °Cshown	-60 °C	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
−60 °C	-76 °F	[4] Occupational Safety and Health Administration (OSHA)

Value	As written	Source
288 °C	550 °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.
288 °Cshown	550 °F (287 °C)	[6] Hazardous Substances Data Bank (HSDB)cites National Fire Protection Association; Fire Protection Guide to Hazardous Materials. 14TH Edition, Quincy, MA 2010, p. 325-21
365 °C	365 °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: 4
Rings: 0
Aromatic rings: 0
Fraction sp³ carbons (Fsp3): 1
H-bond donors: 0
H-bond acceptors: 0
Rotatable bonds: 1
TPSA (Å²): 0
Formal charge: 0
XLogP3: 2.9 PubChem
Complexity: 2 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

C82.66%
H17.34%

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: 1.81 Crippen (Wildman and Crippen 1999)
log S (water solubility): -1.27 ESOL (Delaney 2004), log mol/L
Synthetic accessibility: 1.61 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

Molecular weight ≤ 500: 58.12
log P ≤ 5 (Crippen): 1.81
H-bond donors ≤ 5: 0
H-bond acceptors ≤ 10: 0

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
Compressed gas

NFPA 704[6]

H220Extremely flammable gas

Precautionary statements: P203, P210, P222, P280, P377, P381, P403

View all classifications (3)

[8] Regulation (EC) No 1272/2008 of the European Parliament and of the Council · DangerH220
[8] Regulation (EC) No 1272/2008 of the European Parliament and of the Council · DangerH220, H340, H350
[9] European Chemicals Agency (ECHA) · 2,477 reports · DangerH220, H280

Exposure limits

PEL: None See Appendix G[5]
REL-TWA (Time Weighted Average): 800 ppm (1900 mg/m³)[4]
REL: TWA 800 ppm (1900 mg/mÂ³)[5]
TLV: 1000 ppm as STEL.[3]
TLV-TWA (Time Weighted Average): 1000 ppm [2012][4]
IDLH: 1600 ppm ; Based on 10% of the lower explosive limit. (NIOSH, 2024)[1]

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. If symptoms (such as redness or irritation) develop, immediately transport the victim to a hospital. Skin: Caution: Exposure of skin to compressed gases may result in freezing of the skin. Treatment for frostbite may be necessary.[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: Frostbite - If eye tissue is frozen, seek medical attention immediately; if tissue is not frozen, immediately and thoroughly flush the eyes with large amounts of water for at least 15 minutes, occasionally lifting the lower and upper eyelids. If irritation, pain, swelling, lacrimation, or photophobia persist, get medical attention as soon as possible. Skin: Frostbite - Compressed gases may create low temperatures when they expand rapidly. Leaks and uses that allow rapid expansion may cause a frostbite hazard.[5]

Storage

Fireproof. Cool.[3]
Butane in liquid form may be stored both above and below ground. Besides storage in liquefied form under its vapor pressure at normal atmospheric temperatures, refrigerated liquid storage at atmospheric pressure may be used. Such systems are closed and insulated, and the liquid petroleum gas vapor is circulated through pumps and compressors to serve as the refrigerant for the system. Butane may be stored in pits in the earth capped by metal domes and in underground chambers.[6]
Storage temp: Ambient; venting: Safety relief.[6]

Incompatibilities

Very dangerous fire hazard when exposed to ... Oxidizers.[6]
Addition of nickel carbonyl to an n-butane-oxygen mixture causes an explosion at 20-40 °C.[6]
Strong oxidizers, (e.g., nitrates and perchlorates), chlorine fluorine (nickel carbonyl + oxygen).[6]
Strong oxidizers (e.g., nitrates & perchlorates), chlorine, fluorine, (nickel carbonyl + oxygen)[5]

Safety data sheets on the supplier’s page: Angene Chemical, Cooke Chemical Co., Ltd, LGC Standards.

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]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
[13]MassBank of North America (MoNA) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
[14]NIST Mass Spectrometry Data Center · Linked only · via PubChem · retrieved 2026-10-14
[15]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.