2-Octene,1,1-diethoxy- supplier

Name
1,1-diethoxyoct-2-ene
EINECS 259-087-0
CAS No. 54306-01-3
Article Data2
CAS DataBase
Density 0.858 g/cm³
Solubility
Melting Point
Formula C₁₂H₂₄O₂
Boiling Point 247.7 °C at 760 mmHg
Molecular Weight 200.321
Flash Point 72.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Octenal diethyl acetal;1,1-Diethoxyoct-2-ene;
PSA 18.46000
LogP 3.52200

2-Octene,1,1-diethoxy- Specification

The 2-Octene,1,1-diethoxy-, with the CAS registry number 54306-01-3, is also known as 2-Octenal diethyl acetal. Its EINECS number is 259-087-0. This chemical's molecular formula is C₁₂H₂₄O₂ and molecular weight is 200.32. What's more, its systematic name is 1,1-Diethoxyoct-2-ene.

Physical properties of 2-Octene,1,1-diethoxy- are: (1)ACD/LogP: 4.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.36; (4)ACD/LogD (pH 7.4): 4.36; (5)ACD/BCF (pH 5.5): 1222.23; (6)ACD/BCF (pH 7.4): 1222.23; (7)ACD/KOC (pH 5.5): 5641.36; (8)ACD/KOC (pH 7.4): 5641.36; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.437; (14)Molar Refractivity: 61.15 cm³; (15)Molar Volume: 233.3 cm³; (16)Polarizability: 24.24×10^-24 cm³; (17)Surface Tension: 27.3 dyne/cm; (18)Density: 0.858 g/cm³; (19)Flash Point: 72.8 °C; (20)Enthalpy of Vaporization: 46.53 kJ/mol; (21)Boiling Point: 247.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0397 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCC=CC(OCC)OCC
(2)InChI: InChI=1S/C12H24O2/c1-4-7-8-9-10-11-12(13-5-2)14-6-3/h10-12H,4-9H2,1-3H3
(3)InChIKey: VTQPINQQQFJLGG-UHFFFAOYSA-N

Product Name

1,1-diethoxyoct-2-ene

2-Octene,1,1-diethoxy- Specification

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