2,4-Cyclohexadien-1-one,2,6,6-trimethyl- supplier

Name
2,6,6-trimethylcyclohexa-2,4-dienone
EINECS 236-800-3
CAS No. 13487-30-4
Article Data12
CAS DataBase
Density 0.933 g/cm³
Solubility
Melting Point
Formula C₉H₁₂O
Boiling Point 204.8 °C at 760 mmHg
Molecular Weight 136.194
Flash Point 77.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,6,6-Trimethylcyclohexa-2,4-dienone;2,6,6-Trimethylcyclohexadienone;2,6,6-Trimethyl-2,4-cyclohexadien-1-one;2,2,6-Trimethyl-3,5-cyclohexadien-1-one;
PSA 17.07000
LogP 2.09780

2,4-Cyclohexadien-1-one,2,6,6-trimethyl- Specification

The 2,4-Cyclohexadien-1-one,2,6,6-trimethyl-, with the CAS registry number 13487-30-4, is also known as 2,6,6-Trimethylcyclohexa-2,4-dienone. Its EINECS registry number is 236-800-3. This chemical's molecular formula is C₉H₁₂O and molecular weight is 136.19098. Its IUPAC name is called 2,6,6-trimethylcyclohexa-2,4-dien-1-one.

Physical properties of 2,4-Cyclohexadien-1-one,2,6,6-trimethyl-: (1)ACD/LogP: 1.67; (2)ACD/LogD (pH 5.5): 1.67; (3)ACD/LogD (pH 7.4): 1.67; (4)ACD/BCF (pH 5.5): 10.91; (5)ACD/BCF (pH 7.4): 10.91; (6)ACD/KOC (pH 5.5): 192.58; (7)ACD/KOC (pH 7.4): 192.58; (8)#H bond acceptors: 1; (9)Index of Refraction: 1.474; (10)Molar Refractivity: 41.03 cm³; (11)Molar Volume: 145.9 cm³; (12)Surface Tension: 27.3 dyne/cm; (13)Density: 0.933 g/cm³; (14)Flash Point: 77.9 °C; (15)Enthalpy of Vaporization: 44.1 kJ/mol; (16)Boiling Point: 204.8 °C at 760 mmHg; (17)Vapour Pressure: 0.259 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1/C(=C\C=C/C1(C)C)C
(2)InChI: InChI=1/C9H12O/c1-7-5-4-6-9(2,3)8(7)10/h4-6H,1-3H3
(3)InChIKey: HRIODPQRCSAJMO-UHFFFAOYAP

Product Name

2,6,6-trimethylcyclohexa-2,4-dienone

2,4-Cyclohexadien-1-one,2,6,6-trimethyl- Specification

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