CAS 30282-14-5 Cyclohexanone, 2-hydroxy- (HCID 10785)

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Basic information

CAS: 30282-14-5
Standard SMILES: O=C1CCCCC1O
InChIKey: ODZTXUXIYGJLMC-UHFFFAOYSA-N
Molecular formula: C6H10O2
Average molar mass: 114.14 g/mol
Monoisotopic mass: 114.06807956

Names & identifiers

Preferred name: Cyclohexanone, 2-hydroxy-
IUPAC: 2-hydroxycyclohexan-1-one
English name: 2-Hydroxycyclohexanone dimer
Molecular formula: C6H10O2
Molecular weight: 228.28

Names & synonyms

2-Hydroxycyclohexan-1-one2-HYDROXYCYCLOHEXANONE533-60-8Cyclohexanone, 2-hydroxy-2-Hydroxy-1-cyclohexanoneNSC 298536Cyclohexanone, 2-hydroxy-, dimerEINECS 208-570-4NSC 117392AI3-06549CHEBI:17878DTXSID10883427

Show more names

AKOS 924612-HYDROXY-CYCLOHEXANONE2-Hydroxycyclohexanonedimer,98%2-Hydroxycyclohexanone dimer 98%2-HYDROXYCYCLOHEXANONE, DIMER, 90+%2-Hydroxycyclohexanone dimer,Adipoin

2Hydroxy1cyclohexanone2Hydroxycyclohexan1oneCyclohexanone, 2hydroxyRefChem:580725DTXCID601022958208-570-4InChI=1/C6H10O2/c7-5-3-1-2-4-6(5)8/h5,7H,1-4HAdipoin

Database identifiers

CAS: 30282-14-5、533-60-8
PubChem CID: 10785
DTXSID: DTXSID10883427
ChEBI: CHEBI:17878
EC Number: 208-570-4
Nikkaji: J11.716A

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: 98

Experimental & physicochemical properties

Kovats Retention Index · 2 items

955；971

1643

Physicochemical properties

Melting point: 100 · 100-107 °C(lit.)
Boiling point: 83 · 83-86 °C13 mm Hg(lit.)
Flash point: 175 °F · 175 °F
storage temp.: 2 · 2-8°C
form: Powder
color: Off-white
Water Solubility: Partly miscible in water.
InChI: 1S/C12H20O4/c13-11-7-3-1-5-9(11)15-12(14)8-4-2-6-10(12)16-11/h9-10,13-14H,1-8H2
InChIKey: OLLWHBLCQGPTMZ-UHFFFAOYSA-N
SMILES: OC12CCCCC1OC3(O)CCCCC3O2
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS07

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H228 (100%): Flammable solid [Danger Flammable solids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P240, P241, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Regulatory InformationCyclohexanone, 2-hydroxy-, dimer: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummarySee 3-Methylcyclohexanone and o-Methylcyclohexanone.

Regulatory information

Regulatory InformationCyclohexanone, 2-hydroxy-, dimer: Does not have an individual approval but may be used under an appropriate group standard

Safety data

F: 9-21
PPE: Eyeshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 3
ridadr: UN 1325 4.1/PG 3
hs_code: 29144090
risk_code: 11-36/37/38
Signal word: Warning

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationCyclohexanone, 2-hydroxy-: ACTIVE

Applications · 3 items

UsesReactant involved in:• ;Synthesis of substrated for tin tetrachloride mediated fragmentation to produce ynones and ynoates1• ;Tandem oxidation coupling reactions with diamines2• ;Asymmetric allylic alkylation of enolates3• ;Formate reduction of allylic carbonates for polypropionate systems4

UsesIt is a reactant involved in the synthesis of substrates for tin tetrachloride mediated fragmentation to produce ynones and ynoates, tandem oxidation coupling reactions with diamines, asymmetric allylic alkylation of enolates and formate reduction of allylic carbonates for polypropionate systems.

UsesReactant involved in:Synthesis of substrated for tin tetrachloride mediated fragmentation to produce ynones and ynoatesTandem oxidation coupling reactions with diaminesAsymmetric allylic alkylation of enolatesFormate reduction of allylic carbonates for polypropionate systems