Cyclohexane

Athanor · official

C₆H₁₂ · 84.16 g/mol

Also called hexahydrobenzene, hexamethylene

Rings Solvents

Open in Athanor

Drawn from its SMILES with RDKit

DangerHighly Flammable liquid and vapor · May be fatal if swallowed and enters airways · Causes skin irritation · May cause drowsiness or dizziness · Very toxic to aquatic life · Very toxic to aquatic life with long lasting effects

Names and identifiers

IUPAC name: cyclohexane
Synonyms: hexahydrobenzene, hexamethylene, Hexamethylene
+ 36 more
Hexahydrobenzene, Hexanaphthene, Cyclohexan, Cykloheksan, Benzene, hexahydro-, Cicloesano, Cyclohexaan, Benzenehexahydride, RCRA waste number U056, Caswell No. 269, CCRIS 3928, DTXSID4021923, EPA Pesticide Chemical Code 025901, NSC-406835, 48K5MKG32S, AI3-08222, DTXCID701923, CHEBI:29005, Benzene hexahydride, RefChem:6634, 203-806-2, hexahydro-Benzene, cyclo-hexane, NSC 406835, MFCD00003814, Acid red 300, Cyclohexane, HPLC Grade, Cyclohexaan [Dutch], Cyclohexan [German], Cicloesano [Italian], Cykloheksan [Polish], Ciclohexano, Cyclohexane, ACS reagent, >=99%, Cyclohexane, for HPLC, >=99.7%, HSDB 60, EINECS 203-806-2
Molecular formula: C₆H₁₂
Empirical formula: CH₂
Molecular weight: 84.16 g/mol
Exact mass: 84.09390
CAS number: 110-82-7
PubChem CID: 8078
Canonical SMILES: C1CCCCC1
Isomeric SMILES: C1CCCCC1
InChI: InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2
InChIKey: XDTMQSROBMDMFD-UHFFFAOYSA-N
Molfile

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

Physical properties

TemperaturePressureDensity

Appearance: Colorless mobile liquid[6]
7 values
From Hazardous Substances Data Bank (HSDB), the most authoritative source here.
Value As written Source
– Cyclohexane appears as a clear colorless liquid with a petroleum-like odor. Used to make nylon, as a solvent, paint remover, and to make other chemicals. Flash point -4 °F. Density 6.5 lb / gal (less than water) and insoluble in water. Vapors heavier than air. [1] CAMEO Chemicals
– Large Crystals; Gas Vapor; Liquid [2] EPA Chemical Data Reporting (CDR)
– COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR. [3] ILO-WHO International Chemical Safety Cards (ICSCs)
– Colorless liquid with a sweet, chloroform-like odor. [4] Occupational Safety and Health Administration (OSHA)
– Colorless liquid with a sweet, chloroform-like odor. [Note: A solid below 44 °F.] [5] The National Institute for Occupational Safety and Health (NIOSH)
–shown Colorless mobile liquid [6] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 15th Edition. John Wiley & Sons, Inc. New York, NY 2007., p. 358
– Colorless liquid [Note: A solid below 44 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: Mild sweet odor[6]
3 values
From Hazardous Substances Data Bank (HSDB), the most authoritative source here.
Value As written Source
– Pungent petroleum-like odor [6] Hazardous Substances Data Bank (HSDB)
–shown Mild sweet odor [6] Hazardous Substances Data Bank (HSDB)cites General Electric Co; Material Safety Data Sheet #389 (1984)
– Chloroform-like odor [6] Hazardous Substances Data Bank (HSDB)cites U.S. Coast Guard, Department of Transportation. CHRIS - Hazardous Chemical Data. Manual Two. Washington, DC: U.S. Government Printing Office, Oct., 1978.
Melting point: 6.59 °C[7]
5 values
5 of 5 sources agree on it (most common value).
Value As written Source
6.5 °C 43.7 °F (NTP, 1992) [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
7 °C 7 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)
7 °C 44 °F [4] Occupational Safety and Health Administration (OSHA)
6.6 °Cshown 6.59 °C [7] PAC Chemical Database, U.S. Department of Energy
7 °C 44 °F [5] The National Institute for Occupational Safety and Health (NIOSH)
Boiling point: 80.73 °C @760 [mmHg][7]
5 values
5 of 5 sources agree on it (most common value).
Value As written Source
80.7 °C 177.3 °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.
81 °C 81 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)
81 °C 177 °F [4] Occupational Safety and Health Administration (OSHA)
80.7 °Cshown 80.73 °C @760 [mm Hg] [7] PAC Chemical Database, U.S. Department of Energy
81 °C 177 °F [5] The National Institute for Occupational Safety and Health (NIOSH)
Density: 0.779 at 20 °C (68 °F) (USCG, 1999) - Less dense than water[1]
5 values
5 of 5 sources agree on it (most common value).
Value As written Source
–shown 0.779 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): 0.8 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
– 0.78 [4] Occupational Safety and Health Administration (OSHA)
– 0.7739 @25 °C [7] PAC Chemical Database, U.S. Department of Energy
– 0.78 [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 25 °C: 0.0058 (very poor)[3]
5 values
From ILO-WHO International Chemical Safety Cards (ICSCs), the most authoritative source here.
Value As written Source
– less than 1 mg/mL at 63 °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, 55 mg/L at 25 °C [6] Hazardous Substances Data Bank (HSDB)cites Yalkowsky, S.H., He, Yan, Jain, P. Handbook of Aqueous Solubility Data Second Edition. CRC Press, Boca Raton, FL 2010, p. 291
– Miscible with olive oil [6] Hazardous Substances Data Bank (HSDB)cites Browning, E. Toxicity and Metabolism of Industrial Solvents. New York: American Elsevier, 1965., p. 130
–shown Solubility in water, g/100ml at 25 °C: 0.0058 (very poor) [3] ILO-WHO International Chemical Safety Cards (ICSCs)
– Insoluble [5] The National Institute for Occupational Safety and Health (NIOSH)
log P: log Kow = 3.44[6]
2 values
2 of 2 sources agree on it (most common value).
Value As written Source
–shown log Kow = 3.44 [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. 23
– 3.4 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
Vapor pressure: 96.9 mmHg at 25 °C[6]
6 values
2 of 4 sources agree on it (most common value).
Value As written Source
95 mmHg 95 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.
100 mmHg 100 mmHg at 77.9 °F (NTP, 1992) [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
389.29 mmHg Vapor pressure = 51.901 kPa at 60 °C [6] Hazardous Substances Data Bank (HSDB)cites Mears DE, Eastman AD; Hydrocarbons. Kirk-Othmer Encyclopedia of Chemical Technology. (1999-2014). New York, NY: John Wiley & Sons. Online Posting Date: Jan 14, 2005
96.9 mmHgshown 96.9 mm Hg at 25 °C [6] Hazardous Substances Data Bank (HSDB)cites Chao J et al; J Phys Chem Ref Data 12: 1033-63 (1983)
77 mmHg Vapor pressure, kPa at 20 °C: 10.3 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
75 mmHg 75 [mm Hg] @19.3 °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: -18 °C c.c.[3]
4 values
3 of 4 sources agree on it (most common value).
Value As written Source
−20 °C -4 °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.
−18 °Cshown -18 °C c.c. [3] ILO-WHO International Chemical Safety Cards (ICSCs)
−18 °C 0 °F [4] Occupational Safety and Health Administration (OSHA)
−18 °C 0 °F [5] The National Institute for Occupational Safety and Health (NIOSH)
Autoignition temperature: 260 °C[3]
3 values
Sources disagree; from ILO-WHO International Chemical Safety Cards (ICSCs), the most authoritative.
Value As written Source
270 °C 518 °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.
245 °C 473 °F (245 °C) [6] Hazardous Substances Data Bank (HSDB)cites National Fire Protection Association; Fire Protection Guide to Hazardous Materials. 14TH Edition, Quincy, MA 2010, p. 325-34
260 °Cshown 260 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)
Viscosity: 0.977 mPa.s at 20 °C[6]

Value	As written	Source
–	Cyclohexane appears as a clear colorless liquid with a petroleum-like odor. Used to make nylon, as a solvent, paint remover, and to make other chemicals. Flash point -4 °F. Density 6.5 lb / gal (less than water) and insoluble in water. Vapors heavier than air.	[1] CAMEO Chemicals
–	Large Crystals; Gas Vapor; Liquid	[2] EPA Chemical Data Reporting (CDR)
–	COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–	Colorless liquid with a sweet, chloroform-like odor.	[4] Occupational Safety and Health Administration (OSHA)
–	Colorless liquid with a sweet, chloroform-like odor. [Note: A solid below 44 °F.]	[5] The National Institute for Occupational Safety and Health (NIOSH)
–shown	Colorless mobile liquid	[6] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 15th Edition. John Wiley & Sons, Inc. New York, NY 2007., p. 358
–	Colorless liquid [Note: A solid below 44 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
–	Pungent petroleum-like odor	[6] Hazardous Substances Data Bank (HSDB)
–shown	Mild sweet odor	[6] Hazardous Substances Data Bank (HSDB)cites General Electric Co; Material Safety Data Sheet #389 (1984)
–	Chloroform-like odor	[6] Hazardous Substances Data Bank (HSDB)cites U.S. Coast Guard, Department of Transportation. CHRIS - Hazardous Chemical Data. Manual Two. Washington, DC: U.S. Government Printing Office, Oct., 1978.

Value	As written	Source
6.5 °C	43.7 °F (NTP, 1992)	[1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
7 °C	7 °C	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
7 °C	44 °F	[4] Occupational Safety and Health Administration (OSHA)
6.6 °Cshown	6.59 °C	[7] PAC Chemical Database, U.S. Department of Energy
7 °C	44 °F	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
80.7 °C	177.3 °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.
81 °C	81 °C	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
81 °C	177 °F	[4] Occupational Safety and Health Administration (OSHA)
80.7 °Cshown	80.73 °C @760 [mm Hg]	[7] PAC Chemical Database, U.S. Department of Energy
81 °C	177 °F	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
–shown	0.779 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): 0.8	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–	0.78	[4] Occupational Safety and Health Administration (OSHA)
–	0.7739 @25 °C	[7] PAC Chemical Database, U.S. Department of Energy
–	0.78	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
–	less than 1 mg/mL at 63 °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, 55 mg/L at 25 °C	[6] Hazardous Substances Data Bank (HSDB)cites Yalkowsky, S.H., He, Yan, Jain, P. Handbook of Aqueous Solubility Data Second Edition. CRC Press, Boca Raton, FL 2010, p. 291
–	Miscible with olive oil	[6] Hazardous Substances Data Bank (HSDB)cites Browning, E. Toxicity and Metabolism of Industrial Solvents. New York: American Elsevier, 1965., p. 130
–shown	Solubility in water, g/100ml at 25 °C: 0.0058 (very poor)	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–	Insoluble	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
–shown	log Kow = 3.44	[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. 23
–	3.4	[3] ILO-WHO International Chemical Safety Cards (ICSCs)

Value	As written	Source
95 mmHg	95 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.
100 mmHg	100 mmHg at 77.9 °F (NTP, 1992)	[1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
389.29 mmHg	Vapor pressure = 51.901 kPa at 60 °C	[6] Hazardous Substances Data Bank (HSDB)cites Mears DE, Eastman AD; Hydrocarbons. Kirk-Othmer Encyclopedia of Chemical Technology. (1999-2014). New York, NY: John Wiley & Sons. Online Posting Date: Jan 14, 2005
96.9 mmHgshown	96.9 mm Hg at 25 °C	[6] Hazardous Substances Data Bank (HSDB)cites Chao J et al; J Phys Chem Ref Data 12: 1033-63 (1983)
77 mmHg	Vapor pressure, kPa at 20 °C: 10.3	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
75 mmHg	75 [mm Hg] @19.3 °C	[7] PAC Chemical Database, U.S. Department of Energy

Value	As written	Source
−20 °C	-4 °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.
−18 °Cshown	-18 °C c.c.	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
−18 °C	0 °F	[4] Occupational Safety and Health Administration (OSHA)
−18 °C	0 °F	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
270 °C	518 °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.
245 °C	473 °F (245 °C)	[6] Hazardous Substances Data Bank (HSDB)cites National Fire Protection Association; Fire Protection Guide to Hazardous Materials. 14TH Edition, Quincy, MA 2010, p. 325-34
260 °Cshown	260 °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: 6
Rings: 1
Aromatic rings: 0
Fraction sp³ carbons (Fsp3): 1
H-bond donors: 0
H-bond acceptors: 0
Rotatable bonds: 0
TPSA (Å²): 0
Formal charge: 0
XLogP3: 3.4 PubChem
Complexity: 15 PubChem
Stereocenters: None
Double-bond geometry: None specified
Point group: D3d of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)

Elemental analysis

C85.63%
H14.37%

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: 2.34 Crippen (Wildman and Crippen 1999)
log S (water solubility): -1.84 ESOL (Delaney 2004), log mol/L
Synthetic accessibility: 1 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

Molecular weight ≤ 500: 84.16
log P ≤ 5 (Crippen): 2.34
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
Harmful or irritant
Health hazard
Environmental hazard

NFPA 704[6]

H225Highly Flammable liquid and vapor
H304May be fatal if swallowed and enters airways
H315Causes skin irritation
H336May cause drowsiness or dizziness
H400Very toxic to aquatic life
H410Very toxic to aquatic life with long lasting effects

Precautionary statements: P210, P233, P240, P241, P242, P243, P261, P264, P271, P273, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P319, P321, P331, P332+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, P501

View all classifications (4)

[8] Regulation (EC) No 1272/2008 of the European Parliament and of the Council · DangerH225, H304, H315, H336, H400, H410
[9] European Chemicals Agency (ECHA)This chemical does not meet GHS hazard criteria for < 0.1% (1 of 4880) of reports.
[9] European Chemicals Agency (ECHA) · 4,880 reports · DangerH336, H410
[6] Hazardous Substances Data Bank (HSDB) · DangerH225, H304, H315, H336, H401, H411

Exposure limits

PEL-TWA (8-Hour Time Weighted Average): 300 ppm (1050 mg/m³)[4]
PEL: TWA 300 ppm (1050 mg/m3)[5]
TLV: 100 ppm as TWA.[3]
TLV-TWA (Time Weighted Average): 100 ppm [1964][4]
IDLH: 1300 ppm ; Based on 10% of the lower explosive limit. (NIOSH, 2024)[1]
IDLH: 1300 ppm [Based on 10% of the lower explosion limit for safety considerations even though the relevant toxicological data indicated that irreversible health efects or impairment of escape existed only at higher concentrations.][6]

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 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]
Fresh air, rest. Refer for medical attention.[3]

Storage

Fireproof. Provision to contain effluent from fire extinguishing. Separated from strong oxidants. Store in an area without drain or sewer access.[3]
Keep container tightly closed in a dry and well-ventilated place. Containers which are opened must be carefully resealed and kept upright to prevent leakage. Store under inert gas.[6]

Incompatibilities

Oxidizers.[6]
When mixed hot with liquid dinitrogen tetraoxide an explosion can result.[6]
Oxidizers[5]

Safety data sheets on the supplier’s page: Sigma-Aldrich, Thermo Fisher Scientific, 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.