Hydrogen sulfide

Athanor · official

H₂S · 34.08 g/mol

IUPAC name: sulfane

Also called sulfane, rotten egg gas, H2S

Inorganic

Open in Athanor

Drawn from its SMILES with RDKit

DangerExtremely flammable gas · Fatal if inhaled · Very toxic to aquatic life

Names and identifiers

IUPAC name: sulfane
Synonyms: sulfane, rotten egg gas, H2S
+ 36 more
Hydrosulfuric acid, Dihydrogen sulfide, Dihydrogen monosulfide, Stink DAMP, Hydrogen sulphide, Sulfureted hydrogen, Sewer gas, Hydrogene sulfure, Acide sulfhydrique, Schwefelwasserstoff, Zwavelwaterstof, Siarkowodor, Hydrogen-sulfide, Idrogeno solforato, Hydrogen sulfide (H2S), Sulfuretted hydrogen, Hydrogene sulphure, Acide sulphhydrique, RCRA waste number U135, Hydrogen sulfuric acid, FEMA No. 3779, UN 1053, YY9FVM7NSN, Hydrogen sulfure, DTXSID4024149, CHEBI:16136, Sulfide, Hydrogen, RefChem:6446, DTXCID404149, CHEBI:33535, 231-977-3, Dihydrogen disulfide, Cosan, Hepatic acid, Insoluble sulfur, Hepatic gas
Molecular formula: H₂S
Empirical formula: H₂S
Molecular weight: 34.08 g/mol
Exact mass: 33.98772
CAS number: 7783-06-4
PubChem CID: 402
Canonical SMILES: S
Isomeric SMILES: S
InChI: InChI=1S/H2S/h1H2
InChIKey: RWSOTUBLDIXVET-UHFFFAOYSA-N
Molfile

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

Physical properties

TemperaturePressureDensity

Appearance: Colorless gas [Shipped as a liquefied compressed gas].[5]
5 values
From Hazardous Substances Data Bank (HSDB), the most authoritative source here.
Value As written Source
– Hydrogen sulfide appears as a colorless gas having a strong odor of rotten eggs. Boiling point -60.2 °C. Shipped as a liquid confined under its own vapor pressure. Density (liquid) 8.3 lb / gal. Contact with the unconfined liquid can cause frostbite by evaporative cooling. Gas is very toxic by inhalation. Fatigues the sense of smell which cannot be counted on to warn of the continued presence of the gas. Prolonged exposure of closed containers to heat may result in their violent rupturing and rocketing. Rate of onset: Immediate & Delayed Persistence: Minutes to hours Odor threshold: 0.1 pp [1] CAMEO Chemicals
– COLOURLESS COMPRESSED LIQUEFIED GAS WITH CHARACTERISTIC ODOUR OF ROTTEN EGGS. [2] ILO-WHO International Chemical Safety Cards (ICSCs)
– Flammable, poisonous, colorless gas with a strong odor of rotten eggs. [3] Occupational Safety and Health Administration (OSHA)
– Colorless gas with a strong odor of rotten eggs. [Note: Sense of smell becomes rapidly fatigued & can NOT be relied upon to warn of the continuous presence of H2S. Shipped as a liquefied compressed gas.] [4] The National Institute for Occupational Safety and Health (NIOSH)
–shown Colorless gas [Shipped as a liquefied compressed gas]. [5] Hazardous Substances Data Bank (HSDB)cites NIOSH. NIOSH Pocket Guide to Chemical Hazards. DHHS (NIOSH) Publication No. 94-116. Washington, D.C.: U.S. Government Printing Office, June 1994., p. 170
Odor: Offensive odor[5]
2 values
From Hazardous Substances Data Bank (HSDB), the most authoritative source here.
Value As written Source
– Strong odor of rotten eggs [Note: Sense of smell becomes rapidly fatigued & can NOT be relied upon to warn of the continuous presense of hydrogen sulfide]. [5] Hazardous Substances Data Bank (HSDB)cites NIOSH. NIOSH Pocket Guide to Chemical Hazards. DHHS (NIOSH) Publication No. 94-116. Washington, D.C.: U.S. Government Printing Office, June 1994., p. 170
–shown Offensive odor [5] 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. 668
Melting point: -85.49 °C (-121.88 °F)[3]
5 values
5 of 5 sources agree on it (most common value).
Value As written Source
−85.5 °C -121.9 °F (EPA, 1998) [1] CAMEO Chemicalscites U.S. Environmental Protection Agency. 1998. Extremely Hazardous Substances (EHS) Chemical Profiles and Emergency First Aid Guides. Washington, D.C.: U.S. Government Printing Office.
−85 °C -85 °C [2] ILO-WHO International Chemical Safety Cards (ICSCs)
−85.5 °Cshown -121.88 °F [3] Occupational Safety and Health Administration (OSHA)
−85.5 °C -85.5 °C [6] PAC Chemical Database, U.S. Department of Energy
−86 °C -122 °F [4] The National Institute for Occupational Safety and Health (NIOSH)
Boiling point: -59.55 °C @760 [mmHg][6]
5 values
5 of 5 sources agree on it (most common value).
Value As written Source
−60.3 °C -76.59 °F at 760 mmHg (EPA, 1998) [1] CAMEO Chemicalscites U.S. Environmental Protection Agency. 1998. Extremely Hazardous Substances (EHS) Chemical Profiles and Emergency First Aid Guides. Washington, D.C.: U.S. Government Printing Office.
−60 °C -60 °C [2] ILO-WHO International Chemical Safety Cards (ICSCs)
−60.3 °C -76.59 °F [3] Occupational Safety and Health Administration (OSHA)
−59.5 °Cshown -59.55 °C @760 [mm Hg] [6] PAC Chemical Database, U.S. Department of Energy
−61 °C -77 °F [4] The National Institute for Occupational Safety and Health (NIOSH)
Density: 0.916 at -60 °C (-76 °F) (EPA, 1998) - Less dense than water[1]
5 values
3 of 5 sources agree on it (most common value).
Value As written Source
–shown 0.916 at -76 °F (EPA, 1998) - Less dense than water [1] CAMEO Chemicalscites U.S. Environmental Protection Agency. 1998. Extremely Hazardous Substances (EHS) Chemical Profiles and Emergency First Aid Guides. Washington, D.C.: U.S. Government Printing Office.
– Relative density (water = 1): 0.92 [2] ILO-WHO International Chemical Safety Cards (ICSCs)
– 0.916@76 °F [3] Occupational Safety and Health Administration (OSHA)
– 1.393 @25 °C [6] PAC Chemical Database, U.S. Department of Energy
– 1.19(relative gas density) [4] The National Institute for Occupational Safety and Health (NIOSH)
Solubility in water: Solubility in water, g/100ml at 20 °C: 0.5[2]
5 values
From ILO-WHO International Chemical Safety Cards (ICSCs), the most authoritative source here.
Value As written Source
– 0.4 % (NIOSH, 2024) [1] CAMEO Chemicals
– In water, 3980 mg/L at 20 °C [5] Hazardous Substances Data Bank (HSDB)cites Weil ED et al; Kirk-Othmer Encyclopedia of Chemical Technology. (1999-2012). New York, NY: John Wiley & Sons; Sulfur Compounds. Online Posting Date: June 16, 2006
– Soluble in certain polar organic solvents, notably methanol, acetone, propylene carbonate, sulfolane, tributyl phosphate, various glycols, and glycol ethers. N-Methylpyrrolidine dissolves 49 ml/g at 20 °C at atmospheric pressure. [5] Hazardous Substances Data Bank (HSDB)cites Kirk-Othmer Encyclopedia of Chemical Technology. 4th ed. Volumes 1: New York, NY. John Wiley and Sons, 1991-Present., p. V23: 276
–shown Solubility in water, g/100ml at 20 °C: 0.5 [2] ILO-WHO International Chemical Safety Cards (ICSCs)
– 0.4% [4] The National Institute for Occupational Safety and Health (NIOSH)
Vapor pressure: 15200 mmHg at 25.5 °C (77.9 °F, EPA 1998)[1]
5 values
2 of 4 sources agree on it (most common value).
Value As written Source
15200 mmHgshown 15200 mmHg at 77.9 °F (EPA, 1998) [1] CAMEO Chemicalscites U.S. Environmental Protection Agency. 1998. Extremely Hazardous Substances (EHS) Chemical Profiles and Emergency First Aid Guides. Washington, D.C.: U.S. Government Printing Office.
15600 mmHg Vapor pressure = 1.56X10+4 mm Hg at 25 °C /from experimentally-derived coefficients [5] 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.
13600 mmHg 1.36X10+4 mm Hg at 20 °C [5] Hazardous Substances Data Bank (HSDB)cites Weil ED et al; Kirk-Othmer Encyclopedia of Chemical Technology. (1999-2012). New York, NY: John Wiley & Sons; Sulfur Compounds. Online Posting Date: June 16, 2006.
14000 mmHg Vapor pressure, kPa at 20 °C: 1880 [2] ILO-WHO International Chemical Safety Cards (ICSCs)
750 mmHg 750 [mm Hg] @-60.5 °C [6] 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.
Autoignition temperature: 260 °C (500 °F)[5]
3 values
2 of 3 sources agree on it (most common value).
Value As written Source
260 °C 500 °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.
260 °Cshown 500 °F (260 °C) [5] Hazardous Substances Data Bank (HSDB)cites National Fire Protection Association; Fire Protection Guide to Hazardous Materials. 14TH Edition, Quincy, MA 2010, p. 325-72
270 °C 270 °C [2] ILO-WHO International Chemical Safety Cards (ICSCs)
Viscosity: Reported, but no value passed the checks.
The 3 values and why
Gas at 101.325 KPa at 25 °C (could not be read; source [5])
0.012 8 m Pa.S (could not be read; source [5])
0.012 8 cP. (could not be read; source [5])

Value	As written	Source
–	Hydrogen sulfide appears as a colorless gas having a strong odor of rotten eggs. Boiling point -60.2 °C. Shipped as a liquid confined under its own vapor pressure. Density (liquid) 8.3 lb / gal. Contact with the unconfined liquid can cause frostbite by evaporative cooling. Gas is very toxic by inhalation. Fatigues the sense of smell which cannot be counted on to warn of the continued presence of the gas. Prolonged exposure of closed containers to heat may result in their violent rupturing and rocketing. Rate of onset: Immediate & Delayed Persistence: Minutes to hours Odor threshold: 0.1 pp	[1] CAMEO Chemicals
–	COLOURLESS COMPRESSED LIQUEFIED GAS WITH CHARACTERISTIC ODOUR OF ROTTEN EGGS.	[2] ILO-WHO International Chemical Safety Cards (ICSCs)
–	Flammable, poisonous, colorless gas with a strong odor of rotten eggs.	[3] Occupational Safety and Health Administration (OSHA)
–	Colorless gas with a strong odor of rotten eggs. [Note: Sense of smell becomes rapidly fatigued & can NOT be relied upon to warn of the continuous presence of H2S. Shipped as a liquefied compressed gas.]	[4] The National Institute for Occupational Safety and Health (NIOSH)
–shown	Colorless gas [Shipped as a liquefied compressed gas].	[5] Hazardous Substances Data Bank (HSDB)cites NIOSH. NIOSH Pocket Guide to Chemical Hazards. DHHS (NIOSH) Publication No. 94-116. Washington, D.C.: U.S. Government Printing Office, June 1994., p. 170

Value	As written	Source
–	Strong odor of rotten eggs [Note: Sense of smell becomes rapidly fatigued & can NOT be relied upon to warn of the continuous presense of hydrogen sulfide].	[5] Hazardous Substances Data Bank (HSDB)cites NIOSH. NIOSH Pocket Guide to Chemical Hazards. DHHS (NIOSH) Publication No. 94-116. Washington, D.C.: U.S. Government Printing Office, June 1994., p. 170
–shown	Offensive odor	[5] 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. 668

Value	As written	Source
−85.5 °C	-121.9 °F (EPA, 1998)	[1] CAMEO Chemicalscites U.S. Environmental Protection Agency. 1998. Extremely Hazardous Substances (EHS) Chemical Profiles and Emergency First Aid Guides. Washington, D.C.: U.S. Government Printing Office.
−85 °C	-85 °C	[2] ILO-WHO International Chemical Safety Cards (ICSCs)
−85.5 °Cshown	-121.88 °F	[3] Occupational Safety and Health Administration (OSHA)
−85.5 °C	-85.5 °C	[6] PAC Chemical Database, U.S. Department of Energy
−86 °C	-122 °F	[4] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
−60.3 °C	-76.59 °F at 760 mmHg (EPA, 1998)	[1] CAMEO Chemicalscites U.S. Environmental Protection Agency. 1998. Extremely Hazardous Substances (EHS) Chemical Profiles and Emergency First Aid Guides. Washington, D.C.: U.S. Government Printing Office.
−60 °C	-60 °C	[2] ILO-WHO International Chemical Safety Cards (ICSCs)
−60.3 °C	-76.59 °F	[3] Occupational Safety and Health Administration (OSHA)
−59.5 °Cshown	-59.55 °C @760 [mm Hg]	[6] PAC Chemical Database, U.S. Department of Energy
−61 °C	-77 °F	[4] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
–shown	0.916 at -76 °F (EPA, 1998) - Less dense than water	[1] CAMEO Chemicalscites U.S. Environmental Protection Agency. 1998. Extremely Hazardous Substances (EHS) Chemical Profiles and Emergency First Aid Guides. Washington, D.C.: U.S. Government Printing Office.
–	Relative density (water = 1): 0.92	[2] ILO-WHO International Chemical Safety Cards (ICSCs)
–	0.916@76 °F	[3] Occupational Safety and Health Administration (OSHA)
–	1.393 @25 °C	[6] PAC Chemical Database, U.S. Department of Energy
–	1.19(relative gas density)	[4] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
–	0.4 % (NIOSH, 2024)	[1] CAMEO Chemicals
–	In water, 3980 mg/L at 20 °C	[5] Hazardous Substances Data Bank (HSDB)cites Weil ED et al; Kirk-Othmer Encyclopedia of Chemical Technology. (1999-2012). New York, NY: John Wiley & Sons; Sulfur Compounds. Online Posting Date: June 16, 2006
–	Soluble in certain polar organic solvents, notably methanol, acetone, propylene carbonate, sulfolane, tributyl phosphate, various glycols, and glycol ethers. N-Methylpyrrolidine dissolves 49 ml/g at 20 °C at atmospheric pressure.	[5] Hazardous Substances Data Bank (HSDB)cites Kirk-Othmer Encyclopedia of Chemical Technology. 4th ed. Volumes 1: New York, NY. John Wiley and Sons, 1991-Present., p. V23: 276
–shown	Solubility in water, g/100ml at 20 °C: 0.5	[2] ILO-WHO International Chemical Safety Cards (ICSCs)
–	0.4%	[4] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
15200 mmHgshown	15200 mmHg at 77.9 °F (EPA, 1998)	[1] CAMEO Chemicalscites U.S. Environmental Protection Agency. 1998. Extremely Hazardous Substances (EHS) Chemical Profiles and Emergency First Aid Guides. Washington, D.C.: U.S. Government Printing Office.
15600 mmHg	Vapor pressure = 1.56X10+4 mm Hg at 25 °C /from experimentally-derived coefficients	[5] 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.
13600 mmHg	1.36X10+4 mm Hg at 20 °C	[5] Hazardous Substances Data Bank (HSDB)cites Weil ED et al; Kirk-Othmer Encyclopedia of Chemical Technology. (1999-2012). New York, NY: John Wiley & Sons; Sulfur Compounds. Online Posting Date: June 16, 2006.
14000 mmHg	Vapor pressure, kPa at 20 °C: 1880	[2] ILO-WHO International Chemical Safety Cards (ICSCs)
750 mmHg	750 [mm Hg] @-60.5 °C	[6] PAC Chemical Database, U.S. Department of Energy

Value	As written	Source
260 °C	500 °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.
260 °Cshown	500 °F (260 °C)	[5] Hazardous Substances Data Bank (HSDB)cites National Fire Protection Association; Fire Protection Guide to Hazardous Materials. 14TH Edition, Quincy, MA 2010, p. 325-72
270 °C	270 °C	[2] 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: 1
Rings: 0
Aromatic rings: 0
Fraction sp³ carbons (Fsp3): 0
H-bond donors: 0 computed here · PubChem 1
H-bond acceptors: 0 computed here · PubChem 1
Rotatable bonds: 0
TPSA (Å²): 0 computed here · PubChem 1
Formal charge: 0
XLogP3: 0.5 PubChem
Complexity: 0 PubChem
Stereocenters: None
Double-bond geometry: None specified
Point group: C2v of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)

Elemental analysis

H5.91%
S94.09%

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: 0.11 Crippen (Wildman and Crippen 1999)
log S (water solubility): -0.12 ESOL (Delaney 2004), log mol/L
Synthetic accessibility: 6.96 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

Molecular weight ≤ 500: 34.08
log P ≤ 5 (Crippen): 0.11
H-bond donors ≤ 5: 0
H-bond acceptors ≤ 10: 0

Passes all four rules.

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 [7].

Flammable
Acute toxicity
Environmental hazard

NFPA 704[5]

H220Extremely flammable gas
H330Fatal if inhaled
H400Very toxic to aquatic life

Precautionary statements: P203, P210, P222, P260, P271, P273, P280, P284, P304+P340, P316, P320, P377, P381, P391, P403, P403+P233, P405, P501

View all classifications (2)

[7] Regulation (EC) No 1272/2008 of the European Parliament and of the Council · DangerH220, H330, H400
[8] European Chemicals Agency (ECHA) · 2,542 reports · DangerH220, H280, H330, H400

Exposure limits

PEL-C (Ceiling): 20 ppm (C), 50 ppm (Peak) [10 min, once only, if no other measurable exposure occurs][3]
PEL: C 20 ppm 50 ppm [10-minute maximum peak] See Appendix G[4]
REL-C (Ceiling): 10 ppm (15 mg/m³) [10 min][3]
REL: C 10 ppm (15 mg/m3) [10-minute][4]
TLV: 1 ppm as TWA; 5 ppm as STEL.[2]
TLV-TWA (Time Weighted Average): 1 ppm [2009][3]

First aid

Warning: Caution is advised. Vital signs should be monitored closely. Signs and Symptoms of Acute Hydrogen Sulfide Exposure: Signs and symptoms of acute exposure to hydrogen sulfide may include tachycardia (rapid heart rate) or bradycardia (slow heart rate), hypotension (low blood pressure), cyanosis (blue tint to skin and mucous membrane), cardiac palpitations, and cardiac arrhythmias. Dyspnea (shortness of breath), tachypnea (rapid respiratory rate), bronchitis, pulmonary edema, respiratory depression, and respiratory paralysis may occur.[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…[9]
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…[9]
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…[9]

Storage

Fireproof. Separated from strong oxidants. Cool. Keep in a well-ventilated room. Install continous monitoring system with alarm. Provision to contain effluent from fire extinguishing. Store in an area without drain or sewer access.[2]
Store in a cool, dry, well-ventilated location. Separate from oxidizable materials.[5]

Incompatibilities

Fuming nitric acid reacts with incandescence with hydrogen sulfide.[5]
Forms explosive reactions with bromine pentafluoride, chlorine trifluoride, nitrogen triiodide, nitrogen trichloride, oxygen difluoride and phenyl diazonium chloride.[5]
Addition of powdered copper to 1:2 mixture of hydrogen sulfide and oxygen causes the metal to become incandescent and ignite the explosive mixture.[5]
A mixture of (hydrogen sulfide) with air passed over copper powder may attain red heat. Finely divided tungsten glows red hot in a stream of hydrogen sulfide.[5]

Safety data sheets on the supplier’s page: LGC Standards, Alfa Chemistry, Molport.

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]ILO-WHO International Chemical Safety Cards (ICSCs) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
[3]Occupational Safety and Health Administration (OSHA) · Public domain (US DOL) · via PubChem · retrieved 2026-10-14
[4]The National Institute for Occupational Safety and Health (NIOSH) · Public domain (US CDC) · via PubChem · retrieved 2026-10-14
[5]Hazardous Substances Data Bank (HSDB) · Public domain (US NLM) · via PubChem · retrieved 2026-10-14
[6]PAC Chemical Database, U.S. Department of Energy · Public domain (US DOE) · via PubChem · retrieved 2026-10-14
[7]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
[8]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
[9]Emergency Response Guidebook (ERG) · Public domain (US DOT) · via PubChem · retrieved 2026-10-14
[10]Human Metabolome Database (HMDB) · Linked only · via PubChem · retrieved 2026-10-14
[11]MassBank of North America (MoNA) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
[12]NIST Mass Spectrometry Data Center · Linked only · via PubChem · retrieved 2026-10-14
[13]SpectraBase · 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.