4,8-Dimethylnona-3,7-dien-2-one supplier

Name
(E)&(Z)-4,8-DIMETHYL-3,7-NONADIEN-2-ONE
EINECS
CAS No. 817-88-9
Article Data9
CAS DataBase
Density 0.856 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₈O
Boiling Point 250.5 °C at 760 mmHg
Molecular Weight 166.263
Flash Point 102.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4,8-Dimethyl-3,7-nonadien-2-one;
PSA 17.07000
LogP 3.26810

4,8-Dimethylnona-3,7-dien-2-one Specification

The 3, 7-Nonadien-2-one, 4, 8-dimethyl-, with the CAS registry number 817-88-9, is also known as (E)&(Z)-4, 8-Dimethyl-3, 7-nonadien-2-one. This chemical's molecular formula is C₁₁H₁₈O and molecular weight is 166.14. What's more, its systematic name is 4, 8-Dimethylnona-3, 7-dien-2-one.

Physical properties about 3, 7-Nonadien-2-one, 4, 8-dimethyl- are: (1)ACD/LogP: 3.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.22; (4)ACD/LogD (pH 7.4): 3.22; (5)ACD/BCF (pH 5.5): 164.43; (6)ACD/BCF (pH 7.4): 164.43; (7)ACD/KOC (pH 5.5): 1342.19; (8)ACD/KOC (pH 7.4): 1342.19; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.456; (14)Molar Refractivity: 52.84 cm³; (15)Molar Volume: 194 cm³; (16)Polarizability: 20.94×10^-24 cm³; (17)Surface Tension: 26.8 dyne/cm; (18)Density: 0.856 g/cm³; (19)Flash Point: 102.4 °C; (20)Enthalpy of Vaporization: 48.78 kJ/mol; (21)Boiling Point: 250.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0216 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(=CCCC(=CC(=O)C)C)C
(2) InChI: InChI=1/C11H18O/c1-9(2)6-5-7-10(3)8-11(4)12/h6,8H,5,7H2,1-4H3
(3) InChIKey: QAFYGHBGWCPRCI-UHFFFAOYAM

Product Name

(E)&(Z)-4,8-DIMETHYL-3,7-NONADIEN-2-ONE

4,8-Dimethylnona-3,7-dien-2-one Specification

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