CAS 935-50-2 4,4-Dimethoxy-2,5-cyclohexadien-1-one (HCID 394648)

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Basic information

CAS: 935-50-2
Standard SMILES: COC1(OC)C=CC(=O)C=C1
InChIKey: AVZOEZMUNZGWLN-UHFFFAOYSA-N
Molecular formula: C8H10O3
Average molar mass: 154.165 g/mol
Monoisotopic mass: 154.06299418

Names & identifiers

Preferred name: 4,4-Dimethoxy-2,5-cyclohexadien-1-one
IUPAC: 4,4-Dimethoxycyclohexa-2,5-dien-1-one
English name: 4,4-DIMETHOXY-2,5-CYCLOHEXADIEN-1-ONE, 96
Molecular formula: C8H10O3
Molecular weight: 154.16

Names & synonyms

1,4-Benzoquinone mono-methyl ketal4,4-dimethoxy-2,5-cyclohexadien-1-one2,5-Cyclohexadien-1-one, 4,4-dimethoxy-4,4-DIMETHOXY-2,5-CYCLOHEXADIEN-1-ONE, 96

Database identifiers

CAS: 935-50-2
PubChem CID: 394648
DTXSID: DTXSID90327874
ChEMBL: CHEMBL1991580
EC Number: 633-605-9
Nikkaji: J236.405K

Properties

Physicochemical properties

Boiling point: 255.6 · 255.6±40.0 °C(Predicted)
Density: 1.11 g/mL · 1.11 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.496(lit.)
Flash point: 101 °C · 101 °C
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H319-H315
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Hazard Codes: Xn
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36

Safety & regulation

Safety data

risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 26-36
Hazard statements: H335-H319-H315
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P