4-Hydroxycyclohexanone

HCID 543706

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Basic information

CAS: 13482-22-9
Standard SMILES: O=C1CCC(O)CC1
InChIKey: BXBJZYXQHHPVGO-UHFFFAOYSA-N
Molecular formula: C6H10O2
Average molar mass: 114.14 g/mol
Monoisotopic mass: 114.06807956

Names & identifiers

Preferred name: 4-Hydroxycyclohexanone
IUPAC: 4-hydroxycyclohexan-1-one
English name: 4-Hydroxycyclohexanone
Molecular formula: C6H10O2
Molecular weight: 114.14

Names & synonyms

4-Hydroxycyclohexanone13482-22-9Cyclohexanone, 4-hydroxy-p-HydroxycyclohexanoneDTXSID00337621RefChem:99306DTXCID80288708620-210-1BXBJZYXQHHPVGO-UHFFFAOYSA-N4-hydroxycyclohexan-1-one4-Hydroxy-cyclohexanone4-hydroxycyclohexanon

Show more names

4-Hydroxycyclohexano4-hydroxy-Cyclohexanone, 97%min4-HYDROXYCYCLOHEXANONE 13482-22-94-hydroxycyclohexanone(SALTDATA: FREE)4-Oxocyclohexan-1-ol, 1-Hydroxy-4-oxocyclohexane

MFCD020938174-Hydroxy Cyclohexanone-d44-Hydroxy Cyclohexanone1-Hydroxy-4-oxocyclohexane13482-24-14-Oxocyclohexan-1-ol4hydroxycyclohexanone4-hydroxy-cyclohexan-1-one

Database identifiers

CAS: 13482-22-9
PubChem CID: 543706
DTXSID: DTXSID00337621
EC Number: 620-210-1
Nikkaji: J99.913J

Properties

Computed structural properties

XLogP: -0.2
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 88.7

Physicochemical properties

Melting point: -1 °C · -1°C
Boiling point: 256 °C · 256°C
Density: 1 · 1,1 g/cm3
Flash point: 124 °C · 124°C
storage temp.: Sealed in dry,Room Temperature
pka: 14.62 · 14.62±0.20(Predicted)
form: liquid
color: Colourless to light yellow
InChI: InChI=1S/C6H10O2/c7-5-1-2-6(8)4-3-5/h5,7H,1-4H2
InChIKey: BXBJZYXQHHPVGO-UHFFFAOYSA-N
SMILES: C1(=O)CCC(O)CC1
CAS DataBase Reference: 13482 · 13482-22-9(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 271 · P271-P280
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
HS Code: 2914409000 · 2914409000
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 3 items

This chemical does not meet GHS hazard criteria for 95.9% (142 of 148) of all reports.

Not Classified

Aggregated GHS information provided per 148 reports by companies from 7 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory InformationStatus: Active Update: 20-01-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/16690

Hazard Classes and CategoriesNot Classified

Safety data

hs_code: 2914409000
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 26-36/37/39
Hazard statements: H315-H319-H335
REACH Registrations: Active
Precautionary statements: P271-P280

Chemistry & industry

Applications

Uses4-Hydroxycyclohexanone can be used as an organic synthesis intermediate. It can be obtained by reducing and deprotecting 1,4-dioxanespiro[4,5]cyclohex-8-one with sodium borohydride.