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22463-19-0

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Basic Information
CAS No.: 22463-19-0
Name: Ethanone, 1-(3,3-dimethyl-1-cyclohexen-1-yl)-
Article Data: 2
Molecular Structure:
Molecular Structure of 22463-19-0 (Ethanone, 1-(3,3-dimethyl-1-cyclohexen-1-yl)-)
Formula: C10H16O
Molecular Weight: 152.236
Synonyms: Ketone,3,3-dimethyl-1-cyclohexen-1-yl methyl (8CI);
Density: 0.909 g/cm3
Boiling Point: 218.1 °C at 760 mmHg
Flash Point: 80.6 °C
PSA: 17.07000
LogP: 2.71190
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Specification

The Ethanone,1-(3,3-dimethyl-1-cyclohexen-1-yl)-, with the CAS registry number 22463-19-0, is also known as Ketone,3,3-dimethyl-1-cyclohexen-1-yl methyl (8CI). This chemical's molecular formula is C10H16O and molecular weight is 152.2334. Its classification code is TSCA Flag P [A Commenced PMN (Premanufacture Notice) Substance]. What's more, its IUPAC name and systematic name are the same which is called 1-(3,3-Dimethylcyclohexen-1-yl)ethanone.

Physical properties about Ethanone,1-(3,3-dimethyl-1-cyclohexen-1-yl)-: (1)ACD/LogP: 2.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.72; (4)ACD/LogD (pH 7.4): 2.72; (5)ACD/BCF (pH 5.5): 68.5; (6)ACD/BCF (pH 7.4): 68.5; (7)ACD/KOC (pH 5.5): 717.11; (8)ACD/KOC (pH 7.4): 717.11; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.459; (14)Molar Refractivity: 45.79 cm3; (15)Molar Volume: 167.4 cm3; (16)Surface Tension: 28.3 dyne/cm; (17)Density: 0.909 g/cm3; (18)Flash Point: 80.6 °C; (19)Enthalpy of Vaporization: 45.45 kJ/mol; (20)Boiling Point: 218.1 °C at 760 mmHg; (21)Vapour Pressure: 0.128 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(\C1=C\C(C)(C)CCC1)C
(2) InChI: InChI=1/C10H16O/c1-8(11)9-5-4-6-10(2,3)7-9/h7H,4-6H2,1-3H3
(3) InChIKey:JIYZCVGAWRMUDR-UHFFFAOYAZ