3-Isopropenyl-6-oxoheptanal supplier

Name
3-isopropenyl-6-oxoheptanal (IPOH)
EINECS
CAS No. 7086-79-5
Article Data23
CAS DataBase
Density 0.917 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₆O₂
Boiling Point 269.7 °C at 760 mmHg
Molecular Weight 168.236
Flash Point 99.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-(1-Methylethenyl)-6-oxoheptanal;136521-14-7;6-Oxo-3-prop-1-en-2-yl-heptanal;Heptanal, 3-isopropenyl-6-oxo-;
PSA 34.14000
LogP 2.13690

3-Isopropenyl-6-oxoheptanal Specification

The CAS registry number of Heptanal, 3-(1-methylethenyl)-6-oxo- is 7086-79-5. The IUPAC name is 6-oxo-3-prop-1-en-2-ylheptanal. In addition, the molecular formula is C₁₀H₁₆O₂ and the molecular weight is 168.23. It is also called 3-(1-methylethenyl)-6-oxoheptanal. What's more, it should be stored in a cool and dry place.

Physical properties about Heptanal, 3-(1-methylethenyl)-6-oxo- are: (1)ACD/LogP: 1.53; (2)ACD/LogD (pH 5.5): 1.53; (3)ACD/LogD (pH 7.4): 1.53; (4)ACD/BCF (pH 5.5): 8.57; (5)ACD/BCF (pH 7.4): 8.57; (6)ACD/KOC (pH 5.5): 162.01; (7)ACD/KOC (pH 7.4): 162.01; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 34.14 Å²; (11)Index of Refraction: 1.437; (12)Molar Refractivity: 48.12 cm³; (13)Molar Volume: 183.3 cm³; (14)Polarizability: 19.07 ×10^-24cm³; (15)Surface Tension: 29.3 dyne/cm; (16)Density: 0.917 g/cm³; (17)Flash Point: 99.9 °C; (18)Enthalpy of Vaporization: 50.78 kJ/mol; (19)Boiling Point: 269.7 °C at 760 mmHg; (20)Vapour Pressure: 0.00715 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=CCC(\C(=C)C)CCC(=O)C
(2)InChI: InChI=1/C10H16O2/c1-8(2)10(6-7-11)5-4-9(3)12/h7,10H,1,4-6H2,2-3H3
(3)InChIKey: OGCGCISRMFSLTC-UHFFFAOYAR

Product Name

3-isopropenyl-6-oxoheptanal (IPOH)

3-Isopropenyl-6-oxoheptanal Specification

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