InChI=1/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2

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Inherent Properties, Identifiers and References

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ChemSpider ID:	7679
Empirical Formula:	C₆H₁₀O
Molecular Weight:	98.143
Nominal Mass:	98 Da
Average Mass:	98.143 Da
Monoisotopic Mass:	98.073165 Da

Systematic Name:

cyclohexanone

SMILES:

O=C1CCCCC1

InChI:

InChI=1/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2

InChIKey:

JHIVVAPYMSGYDF-UHFFFAOYAY

Original Reference(s)

Data Source	External ID(s)
AKos	AKI-BBS-00004296
BindingDB	6
ChEBI	CHEBI:17854
ChemDB	3969547
ChemIDplus	000108941, 009003412, 069227185
DiscoveryGate	172403, 7967
DrugBank	N/A
DTP/NCI	5711
Egon Willighagen	N/A, N/A
EPA DSSTox	N/A, 1141_NTPBSI_v2b, 373_CPDBAS_v5b, 205_EPAFHM_v4b, 491_HPVCSI_v2c, 663_NTPHTS_v2b
Food and Agriculture Organization of the United Nations	4250, Cyclohexanone
Journal of Heterocyclic Chemistry	19920203_5
KEGG	C00414, C02019
NCGC	NCGC00091786-01
NIOSH	GW1050000
NIST	3418309825
NIST Chemistry WebBook	3418309825
NMRShiftDB	10005716
Oxford University Chemical Safety Data	N/A, N/A
PubChem	7967
Ryan Scientific	ET 02416, LTBB001355
Single Depositions	cyclohexanone
Thomson Pharma	00089428
UM-BBD	c0195
ZINC	ZINC04528575

Disclaimer (Details...)

Supplemental Information

Links & References

E. L. Willighagen, H. M. G. W. Denissen, R. Wehrens, and L. M. C. Buydens. On the Use of 1H and 13C 1D NMR Spectra as QSPR Descriptors, J. Chem. Inf. Model., 46 (2), 487-494, 2006

[PubMed: 16562976] [DOI: 10.1021/ci050282s]

User Data

experimental physchem properties

Melting Point: -32 C

The melting point of a crystalline solid is the temperature range at which it changes state from solid to liquid. See also: Melting Point

Boiling Point: 312F

The boiling point of a liquid is the temperature at which the vapor pressure of the liquid equals the environmental pressure surrounding the liquid. See also: Boiling Point

Boiling Point: 154-156°

The boiling point of a liquid is the temperature at which the vapor pressure of the liquid equals the environmental pressure surrounding the liquid. See also: Boiling Point

Boiling Point: 156 C

The boiling point of a liquid is the temperature at which the vapor pressure of the liquid equals the environmental pressure surrounding the liquid. See also: Boiling Point

Flash Point: 146F

The flash point of a flammable liquid is the lowest temperature at which it can form an ignitable mixture in air. See also: Flash Point

Flash Point: 44 C (closed cup)

The flash point of a flammable liquid is the lowest temperature at which it can form an ignitable mixture in air. See also: Flash Point

Freezing Point: -49F

No description available

Specific Gravity: 0.95

Specific gravity is defined as the ratio of the density of a given substance to the density of water, when both are at the same temperature. See also: Specific Gravity

Specific Gravity: 0.947-0.950

Specific gravity is defined as the ratio of the density of a given substance to the density of water, when both are at the same temperature. See also: Specific Gravity

Refraction Index: 1.447-1.453

The refractive index (or index of refraction) of a medium is a measure for how much the speed of light (or other waves such as sound waves) is reduced inside the medium. See also: Refraction Index

logP: 0.81

No description available

Solubility: 15%

No description available

Ionization Potential: 9.14 eV

No description available

Vapor Pressure: 5 mmHg

No description available

miscellaneous

Appearance: Water-white to pale-yellow liquid with a peppermint- or acetone-like odor.

Visual appearance of the given substance.

Appearance: colourless liquid

Visual appearance of the given substance.

Stability: Stable. Combustible. Incompatible with strong oxidizingagents.

Chemical stability occurs when a substance is in a (dynamic) chemical equilibrium with its environment. See also: Chemical Stability

Toxicity: ORL-RAT LD50 1620 mg kg-1, IPR-MUS LD50 1350 mg kg-1, SKN-RBT LD50 1000 mg kg-1

Toxicity is the degree to which something is able to produce illness or damage to an exposed organism. See also: Toxicity and list of used abbreviations.

Safety: Safety glasses, adequate ventilation.

See Chemical Safety

First Aid: Eye: Irrigate immediately Skin: Water flush promptly Breathing: Respiratory support Swallow: Medical attention immediately

No description available

Exposure Routes: inhalation, skin absorption, ingestion, skin and/or eye contact

No description available

Symptoms: Irritation eyes, skin, mucous membrane; headache; narcosis, coma; dermatitis; in animals: liver, kidney damage

No description available

Target Organs: Eyes, skin, respiratory system, central nervous system, liver, kidneys

No description available

Incompatibilities and Reactivities: Oxidizers, nitric acid

No description available

Personal protection and Sanitation: Skin: Prevent skin contact Eyes: Prevent eye contact Wash skin: When contaminated Remove: When wet or contaminated Change: No recommendation

No description available

Exposure Limits: NIOSH REL : TWA 25 ppm (100 mg/m 3 ) [skin] OSHA PEL ?: TWA 50 ppm (200 mg/m 3 )

No description available

miscellaneous

Appearance: Oily liquid; odour reminiscent of peppermint and acetone

Visual appearance of the given substance.

experimental physchem properties

Solubility: -0.60

No description available

Names and Synonyms

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

1,3-Cyclohexanone

108-94-1[RN]

203-631-1[EINECS]

Anone

Cyclohexanal

Cyclohexanon

CYCLOHEXANONE[Wiki]

Hytrol O

ketocyclohexane

Ketohexamethylene

Nadone

oxocyclohexane

Pimelic ketone

Cykloheksanon[Polish]

5,11-Dihydro-11-methyl-11-methylthio-2-methoxy-5-methyl-dipyrido[3,2-b:2',3'-e}azepine-6-one

5-chloro-2,4-difluoroaniline

11119-77-0[RN]

9003-41-2[RN]

9075-99-4[RN]

Anon

Cicloesanone

Cyclic ketone

Cyclohexyl ketone

CYH

Hytrolo

Pimelin ketone

Sextone

Database ID(s)

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

AI3-00041

C00414

c0195

C02019

Caswell No. 270

CCRIS 5897

CHEBI:17854

EPA Pesticide Chemical Code 025902

HSDB 186

NCGC00091786-01

NCI-C55005

NSC 5711

NSC5711

RCRA waste no. U057

RCRA waste number U057

UN1915

ZINC04528575