CAS 1123-09-7 3,5-Dimethylcyclohex-2-en-1-one (HCID 14291)

Names & identifiers

Preferred name: 3,5-Dimethylcyclohex-2-en-1-one
IUPAC: 3,5-dimethylcyclohex-2-en-1-one
English name: 3,5-Dimethyl-2-cyclohexen-1-one
Molecular formula: C8H12O
Molecular weight: 124.18

Names & synonyms

3,5-Dimethyl-2-cyclohexen-1-one1123-09-73,5-Dimethylcyclohex-2-en-1-one2-Cyclohexen-1-one, 3,5-dimethyl-EINECS 214-369-2AI3-21772DTXSID20870848NSC 845NSC 10113RefChem:487025DTXCID70818533214-369-2

Show more names

3,5-diMethylcyclohex-2-enone3,5-Dimethyl-2-cyclohexen-1-on3,5-Dimethyl-2-cyclohexen-1-one,99%

MFCD000015832-Cyclohexen-1-one,5-dimethyl-NSC8453,5-Dimethyl-2-cyclohexene-1-one3,5-dimethylcyclohexenone3,5-dimethyl-2-cyclohexenoneSCHEMBL1042381NSC-845

Database identifiers

CAS: 1123-09-7
PubChem CID: 14291
DTXSID: DTXSID20870848
EC Number: 214-369-2
Nikkaji: J112.662H

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 156

Physicochemical properties

Melting point: 166 °C · 166 °C(Solv: ethanol (64-17-5))
Boiling point: 211 · 211-212 °C (lit.)
Density: 0.881 g/mL · 0.881 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.483(lit.)
Flash point: 175 °F · 175 °F
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Oil
color: Colourless to Pale Yellow
InChI: InChI=1S/C8H12O/c1-6-3-7(2)5-8(9)4-6/h4,7H,3,5H2,1-2H3
InChIKey: NOQKKFBBAODEHN-UHFFFAOYSA-N
SMILES: C1(=O)CC(C)CC(C)=C1
LogP: 1.141 · 1.141 (est)
NIST Chemistry Reference: 2 · 2-Cyclohexen-1-one, 3,5-dimethyl-(1123-09-7)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xn
Risk Statements: 36 · 36-20/21/22
Safety Statements: 36 · 36/37/39-26
WGK Germany: 3 · 3
Storage Class: 10 · 10 - Combustible liquids

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H227 (100%): Combustible liquid [Warning Flammable liquids]

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

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 4 (100%)

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
risk_code: 36-20/21/22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 36/37/39-26
Storage Class: 10 - Combustible liquids
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313