5,7-Decadien-2-one,4,4,8-trimethyl- supplier

Name
4,4,8-trimethyl-5,7-decadien-2-one
EINECS 267-161-9
CAS No. 67801-41-6
Density 0.854 g/cm³
Solubility
Melting Point
Formula C₁₃H₂₂O
Boiling Point 273.2 °C at 760 mmHg
Molecular Weight 194.3132
Flash Point 98.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4,4,8-Trimethyl-5,7-decadien-2-one;
PSA 17.07000
LogP 3.90420

5,7-Decadien-2-one,4,4,8-trimethyl- Specification

The 5,7-Decadien-2-one,4,4,8-trimethyl-, with the CAS registry number 67801-41-6, is also known as 4,4,8-Trimethyl-5,7-decadien-2-one. Its EINECS registry number is 267-161-9. This chemical's molecular formula is C₁₃H₂₂O and molecular weight is 194.31318. Its IUPAC name is called (5E,7E)-4,4,8-trimethyldeca-5,7-dien-2-one.

Physical properties of 5,7-Decadien-2-one,4,4,8-trimethyl-: (1)ACD/LogP: 3.87; (2)ACD/LogD (pH 5.5): 3.87; (3)ACD/LogD (pH 7.4): 3.87; (4)ACD/BCF (pH 5.5): 511.6; (5)ACD/BCF (pH 7.4): 511.6; (6)ACD/KOC (pH 5.5): 3024.51; (7)ACD/KOC (pH 7.4): 3024.51; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 5; (10)Index of Refraction: 1.459; (11)Molar Refractivity: 62.22 cm³; (12)Molar Volume: 227.3 cm³; (13)Surface Tension: 27.4 dyne/cm; (14)Density: 0.854 g/cm³; (15)Flash Point: 98.1 °C; (16)Enthalpy of Vaporization: 51.15 kJ/mol; (17)Boiling Point: 273.2 °C at 760 mmHg; (18)Vapour Pressure: 0.00582 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCC(=CC=CC(C)(C)CC(=O)C)C
(2)Isomeric SMILES: CC/C(=C/C=C/C(C)(C)CC(=O)C)/C
(3)InChI: InChI=1S/C13H22O/c1-6-11(2)8-7-9-13(4,5)10-12(3)14/h7-9H,6,10H2,1-5H3/b9-7+,11-8+
(4)InChIKey: VPZYONTUNFBDMF-BIZFVBGRSA-N

Product Name

4,4,8-trimethyl-5,7-decadien-2-one

5,7-Decadien-2-one,4,4,8-trimethyl- Specification

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