Diethyl ether

Athanor · official

C₄H₁₀O · 74.12 g/mol

IUPAC name: ethoxyethane

Also called ether, Et2O, ethoxyethane, sulfuric ether

Solvents

Open in Athanor

Drawn from its SMILES with RDKit

DangerExtremely flammable liquid and vapor · Harmful if swallowed · May cause drowsiness or dizziness

Names and identifiers

IUPAC name: ethoxyethane
Synonyms: ether, Et2O, ethoxyethane
+ 38 more
sulfuric ether, Ethyl ether, Ethoxyethane, Ethyl oxide, Pronarcol, Diethyl oxide, Aether, Anesthetic ether, Anaesthetic ether, Solvent ether, 3-Oxapentane, Ether, ethyl, Diaethylaether, Dwuetylowy eter, Etere etilico, Ether ethylique, Anesthesia ether, Oxyde d'ethyle, 1,1'-Oxybisethane, Ethane, 1,1'-oxybis-, Diethylaether, 1,1'-oxydiethane, Ethyl ether, tech., Sulfuric ether, Etherum, RCRA waste number U117, Ether, Diethyl, Ether anaesthesicus, NSC-100036, 0F5N573A2Y, DTXSID3021720, CHEBI:35702, NSC100036, RefChem:6635, DTXCID101720, CHEBI:25698, 200-467-2, DIETHYLETHER
Molecular formula: C₄H₁₀O
Empirical formula: C₄H₁₀O
Molecular weight: 74.12 g/mol
Exact mass: 74.07316
CAS number: 60-29-7
PubChem CID: 3283
Canonical SMILES: CCOCC
Isomeric SMILES: CCOCC
InChI: InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3
InChIKey: RTZKZFJDLAIYFH-UHFFFAOYSA-N
Molfile

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

Physical properties

TemperaturePressureDensity

Appearance: Colorless, volatile, mobile liquid[6]
7 values
From Hazardous Substances Data Bank (HSDB), the most authoritative source here.
Value As written Source
– Diethyl ether appears as a clear colorless liquid with an anesthetic odor. Flash point -49 °F. Less dense than water and slightly soluble in water. Hence floats on water. Vapors are heavier than air. Used as a solvent and to make other chemicals. [1] CAMEO Chemicals
– Liquid [2] EPA Chemical Data Reporting (CDR)
– VERY VOLATILE COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR. [3] ILO-WHO International Chemical Safety Cards (ICSCs)
– Colorless liquid with a pungent, sweetish odor. [4] Occupational Safety and Health Administration (OSHA)
– Colorless liquid with a pungent, sweetish odor. [Note: A gas above 94 °F.] [5] The National Institute for Occupational Safety and Health (NIOSH)
–shown Colorless, volatile, mobile liquid [6] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 14th Edition. John Wiley & Sons, Inc. New York, NY 2001., p. 469
– Colorless liquid [Note: A gas above 94 degees F]. [6] Hazardous Substances Data Bank (HSDB)cites NIOSH. NIOSH Pocket Guide to Chemical Hazards & Other Databases CD-ROM. Department of Health & Human Services, Centers for Disease Prevention & Control. National Institute for Occupational Safety & Health. DHHS (NIOSH) Publication No. 2005-151 (2005)
Odor: Ethereal odor[6]
Melting point: -116.2 °C[7]
5 values
5 of 5 sources agree on it (most common value).
Value As written Source
−116.3 °C -177.3 °F (NTP, 1992) [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
−116 °C -116 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)
−116 °C -177 °F [4] Occupational Safety and Health Administration (OSHA)
−116.2 °Cshown -116.2 °C [7] PAC Chemical Database, U.S. Department of Energy
−116 °C -177 °F [5] The National Institute for Occupational Safety and Health (NIOSH)
Boiling point: 34.5 °C @760 [mmHg][7]
5 values
5 of 5 sources agree on it (most common value).
Value As written Source
34.6 °C 94.3 °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.
35 °C 35 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)
34 °C 94 °F [4] Occupational Safety and Health Administration (OSHA)
34.5 °Cshown 34.5 °C @760 [mm Hg] [7] PAC Chemical Database, U.S. Department of Energy
34 °C 94 °F [5] The National Institute for Occupational Safety and Health (NIOSH)
Density: 0.7138 @ 20°C[7]
4 values
4 of 4 sources agree on it (most common value).
Value As written Source
– 0.714 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.
– 0.71 [4] Occupational Safety and Health Administration (OSHA)
–shown 0.7138 @ 20°C [7] PAC Chemical Database, U.S. Department of Energy
– 0.71 [5] The National Institute for Occupational Safety and Health (NIOSH)
2 more values were reported but failed the checks (unreadable or out of range), so they are not shown.
Solubility in water: Solubility in water, g/100ml at 20 °C: 6.9 (soluble)[3]
6 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 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.
– Sol in solvent naphtha, benzene, oils [6] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 14th Edition. John Wiley & Sons, Inc. New York, NY 2001., p. 469
– Miscible with most organic solvents [6] Hazardous Substances Data Bank (HSDB)cites Ashford, R.D. Ashford's Dictionary of Industrial Chemicals. London, England: Wavelength Publications Ltd., 1994., p. 303
– In water, 6.04X10+4 mg/L 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. 411
–shown Solubility in water, g/100ml at 20 °C: 6.9 (soluble) [3] ILO-WHO International Chemical Safety Cards (ICSCs)
– 8% [5] The National Institute for Occupational Safety and Health (NIOSH)
log P: 0.89 (calculated)[3]
2 values
2 of 2 sources agree on it (most common value).
Value As written Source
– log Kow= 0.89 [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 0.89 (calculated) [3] ILO-WHO International Chemical Safety Cards (ICSCs)
pKa: pKa = -3.59[6]
Vapor pressure: 750 [mmHg] @34.1 °C[7]
5 values
2 of 4 sources agree on it (most common value).
Value As written Source
442 mmHg 442 mmHg at 68 °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.
760 mmHg 760 mmHg at 94.3 °F (NTP, 1992) [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
538 mmHg 538 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.
440 mmHg Vapor pressure, kPa at 20 °C: 58.6 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
750 mmHgshown 750 [mm Hg] @34.1 °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: -45 °C c.c.[3]
4 values
4 of 4 sources agree on it (most common value).
Value As written Source
−45 °C -49 °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.
−45 °Cshown -45 °C c.c. [3] ILO-WHO International Chemical Safety Cards (ICSCs)
−45 °C -49 °F [4] Occupational Safety and Health Administration (OSHA)
−45 °C -49 °F [5] The National Institute for Occupational Safety and Health (NIOSH)
Autoignition temperature: 180 °C (356 °F)[6]
3 values
2 of 3 sources agree on it (most common value).
Value As written Source
180 °C 356 °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.
180 °Cshown 356 °F (180 °C) [6] Hazardous Substances Data Bank (HSDB)cites Fire Protection Guide to Hazardous Materials. 13 ed. Quincy, MA: National Fire Protection Association, 2002., p. 325-63
160 to 180 °C 160-180 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)

Value	As written	Source
–	Diethyl ether appears as a clear colorless liquid with an anesthetic odor. Flash point -49 °F. Less dense than water and slightly soluble in water. Hence floats on water. Vapors are heavier than air. Used as a solvent and to make other chemicals.	[1] CAMEO Chemicals
–	Liquid	[2] EPA Chemical Data Reporting (CDR)
–	VERY VOLATILE COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–	Colorless liquid with a pungent, sweetish odor.	[4] Occupational Safety and Health Administration (OSHA)
–	Colorless liquid with a pungent, sweetish odor. [Note: A gas above 94 °F.]	[5] The National Institute for Occupational Safety and Health (NIOSH)
–shown	Colorless, volatile, mobile liquid	[6] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 14th Edition. John Wiley & Sons, Inc. New York, NY 2001., p. 469
–	Colorless liquid [Note: A gas above 94 degees F].	[6] Hazardous Substances Data Bank (HSDB)cites NIOSH. NIOSH Pocket Guide to Chemical Hazards & Other Databases CD-ROM. Department of Health & Human Services, Centers for Disease Prevention & Control. National Institute for Occupational Safety & Health. DHHS (NIOSH) Publication No. 2005-151 (2005)

Value	As written	Source
−116.3 °C	-177.3 °F (NTP, 1992)	[1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
−116 °C	-116 °C	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
−116 °C	-177 °F	[4] Occupational Safety and Health Administration (OSHA)
−116.2 °Cshown	-116.2 °C	[7] PAC Chemical Database, U.S. Department of Energy
−116 °C	-177 °F	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
34.6 °C	94.3 °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.
35 °C	35 °C	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
34 °C	94 °F	[4] Occupational Safety and Health Administration (OSHA)
34.5 °Cshown	34.5 °C @760 [mm Hg]	[7] PAC Chemical Database, U.S. Department of Energy
34 °C	94 °F	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
–	0.714 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.
–	0.71	[4] Occupational Safety and Health Administration (OSHA)
–shown	0.7138 @ 20°C	[7] PAC Chemical Database, U.S. Department of Energy
–	0.71	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
–	greater than or equal to 100 mg/mL 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.
–	Sol in solvent naphtha, benzene, oils	[6] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 14th Edition. John Wiley & Sons, Inc. New York, NY 2001., p. 469
–	Miscible with most organic solvents	[6] Hazardous Substances Data Bank (HSDB)cites Ashford, R.D. Ashford's Dictionary of Industrial Chemicals. London, England: Wavelength Publications Ltd., 1994., p. 303
–	In water, 6.04X10+4 mg/L 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. 411
–shown	Solubility in water, g/100ml at 20 °C: 6.9 (soluble)	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–	8%	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
–	log Kow= 0.89	[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	0.89 (calculated)	[3] ILO-WHO International Chemical Safety Cards (ICSCs)

Value	As written	Source
442 mmHg	442 mmHg at 68 °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.
760 mmHg	760 mmHg at 94.3 °F (NTP, 1992)	[1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
538 mmHg	538 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.
440 mmHg	Vapor pressure, kPa at 20 °C: 58.6	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
750 mmHgshown	750 [mm Hg] @34.1 °C	[7] PAC Chemical Database, U.S. Department of Energy

Value	As written	Source
−45 °C	-49 °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.
−45 °Cshown	-45 °C c.c.	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
−45 °C	-49 °F	[4] Occupational Safety and Health Administration (OSHA)
−45 °C	-49 °F	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
180 °C	356 °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.
180 °Cshown	356 °F (180 °C)	[6] Hazardous Substances Data Bank (HSDB)cites Fire Protection Guide to Hazardous Materials. 13 ed. Quincy, MA: National Fire Protection Association, 2002., p. 325-63
160 to 180 °C	160-180 °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: 0
H-bond acceptors: 1
Rotatable bonds: 2
TPSA (Å²): 9.2
Formal charge: 0
XLogP3: 0.9 PubChem
Complexity: 11 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

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: 1.04 Crippen (Wildman and Crippen 1999)
log S (water solubility): -0.82 ESOL (Delaney 2004), log mol/L
Synthetic accessibility: 1.91 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): 1.04
H-bond donors ≤ 5: 0
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
Harmful or irritant

NFPA 704[6]

H224Extremely flammable liquid and vapor
H302Harmful if swallowed
H336May cause drowsiness or dizziness

Precautionary statements: P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P317, P303+P361+P353, P304+P340, P319, P330, P370+P378, P403+P233, P403+P235, P405, P501

View all classifications (3)

[8] Regulation (EC) No 1272/2008 of the European Parliament and of the Council · DangerH224, H302, H336
[9] European Chemicals Agency (ECHA)This chemical does not meet GHS hazard criteria for 1.9% (12 of 636) of reports.
[9] European Chemicals Agency (ECHA) · 636 reports · DangerH224, H302, H336

Exposure limits

PEL-TWA (8-Hour Time Weighted Average): 400 ppm (1200 mg/m³)[4]
PEL: TWA 400 ppm (1200 mg/m3) See Appendix G[5]
REL: See Appendix D[5]
TLV: 400 ppm as TWA; 500 ppm as STEL.[3]
TLV-TWA (Time Weighted Average): 400 ppm [1966][4]
TLV-STEL (Short Term Exposure Limit): 500 ppm [1966][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 wash promptly - If this chemical contacts the skin, promptly wash the contaminated skin with water. If this chemical penetrates the clothing, promptly remove the clothing and wash the skin with water. If irritation persists after washing, get medical attention. Breathing: Respiratory support Swallow: Medical attention immediately - If this[5]

Storage

Fireproof. Separated from oxidants and other incompatible materials. See Chemical Dangers. Cool. Keep in the dark. Store only if stabilized. Ventilation along the floor.[3]
Separate from oxidizing materials. Store in a cool, dry, well-ventilated area. Avoid sunlight.[6]
Floors of storage rooms should be conductive ... To ground out any possible static charge of individuals working in the room.[6]
Ethers should not be stored near powerful oxidizers or in areas of high fire hazard. They should be kept cool and the containers electrically grounded to avoid sparks. (ethers)[6]

Incompatibilities

Boron triazide, bromine trifluoride, bromine pentafluoride, bromine, iodine heptafluoride, silver perchlorate, fluorine nitrate, permanganic acid, nitric acid, hydrogen peroxide, peroxodisulfuric acid, iodine(VII) oxide, peat soils, thiotriazyl perchlorate, sulfonyl chloride, sulfur, uranyl nitrate, and wood pulp extracts.[6]
Alpha-Hydroperoxy ethers are obtained readily from the autoxidation of most ethers (including diethyl ether) containing alpha-hydrogens. From ... Diethyl ether, the initially formed alpha-hydroperoxy ether can ... With acid treatment, form dangerously sensitive and explosive polymeric peroxide.[6]
Strong oxidizers, halogens, sulfur, sulfur compounds [Note: Tends to form explosive peroxides under influence of air and light.][6]
For more Hazardous Reactivities and Incompatibilities (Complete) data for diethyl ether (16 total), please visit the HSDB record page.[6]

Safety data sheets on the supplier’s page: abcr GmbH, Thermo Fisher Scientific, Oakwood Products.

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.