2,6-Octadiene,1-(2,2-dimethoxyethoxy)-3,7-dimethyl-, (E)- (9CI) supplier

Name
(E)-1-(2,2-dimethoxyethoxy)-3,7-dimethylocta-2,6-diene
EINECS 278-196-4
CAS No. 75391-51-4
Article Data1
CAS DataBase
Density 0.911 g/cm³
Solubility
Melting Point
Formula C₁₄H₂₆O₃
Boiling Point 299.6 °C at 760 mmHg
Molecular Weight 242.359
Flash Point 112.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (2E)-1-(2,2-dimethoxyethoxy)-3,7-dimethylocta-2,6-diene;(E)-1-(2,2-dimethoxyethoxy)-3,7-dimethylocta-2,6-diene;
PSA 27.69000
LogP 3.31460

2,6-Octadiene,1-(2,2-dimethoxyethoxy)-3,7-dimethyl-, (E)- (9CI) Specification

The 2,6-Octadiene,1-(2,2-dimethoxyethoxy)-3,7-dimethyl-, (E)- (9CI), with the CAS registry number 75391-51-4, is also known as (E)-1-(2,2-Dimethoxyethoxy)-3,7-dimethylocta-2,6-diene. Its EINECS number is 278-196-4. This chemical's molecular formula is C₁₄H₂₆O₃ and molecular weight is 242.35. What's more, its systematic name is (2E)-1-(2,2-dimethoxyethoxy)-3,7-dimethylocta-2,6-diene.

Physical properties of 2,6-Octadiene,1-(2,2-dimethoxyethoxy)-3,7-dimethyl-, (E)- (9CI) are: (1)ACD/LogP: 3.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.75; (4)ACD/LogD (pH 7.4): 3.75; (5)ACD/BCF (pH 5.5): 414.49; (6)ACD/BCF (pH 7.4): 414.49; (7)ACD/KOC (pH 5.5): 2601.48; (8)ACD/KOC (pH 7.4): 2601.48; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 27.69 Å²; (13)Index of Refraction: 1.453; (14)Molar Refractivity: 71.9 cm³; (15)Molar Volume: 265.9 cm³; (16)Polarizability: 28.5×10^-24 cm³; (17)Surface Tension: 28.1 dyne/cm; (18)Density: 0.911 g/cm³; (19)Flash Point: 112.8 °C; (20)Enthalpy of Vaporization: 51.8 kJ/mol; (21)Boiling Point: 299.6 °C at 760 mmHg; (22)Vapour Pressure: 0.0021 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O(C/C=C(\C)CC\C=C(/C)C)CC(OC)OC
(2)InChI: InChI=1/C14H26O3/c1-12(2)7-6-8-13(3)9-10-17-11-14(15-4)16-5/h7,9,14H,6,8,10-11H2,1-5H3/b13-9+
(3)InChIKey: NPBSCTNZMOBINO-UKTHLTGXBV

Product Name

(E)-1-(2,2-dimethoxyethoxy)-3,7-dimethylocta-2,6-diene

2,6-Octadiene,1-(2,2-dimethoxyethoxy)-3,7-dimethyl-, (E)- (9CI) Specification

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