3-cis-Hexenyl methyl carbonate supplier

Name
3-cis-Hexenyl methyl carbonate
EINECS 266-797-4
CAS No. 67633-96-9
Density 0.964 g/cm³
Solubility Insoluble in water; soluble in alcohol
Melting Point
Formula C₈H₁₄O₃
Boiling Point 184.8 °C at 760 mmHg
Molecular Weight 158.197
Flash Point 66.8 °C
Transport Information
Appearance colourless to pale yellow clear liquid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Carbonicacid, (3Z)-3-hexenyl methyl ester (9CI);Carbonic acid, 3-hexenyl methyl ester,(Z)-;Leafovert;Liffarome;
PSA 35.53000
LogP 2.12570

3-cis-Hexenyl methyl carbonate Specification

The 3-cis-Hexenyl methyl carbonate, with the CAS registry number 67633-96-9, is also known as Carbonic acid, (3Z)-3-hexenyl methyl ester. Its EINECS registry number is 266-797-4. This chemical's molecular formula is C₈H₁₄O₃ and molecular weight is 158.19. Its IUPAC name is called [(E)-hex-3-enyl] methyl carbonate.

Physical properties of 3-cis-Hexenyl methyl carbonate: (1)ACD/LogP: 2.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.48; (4)ACD/LogD (pH 7.4): 2.48; (5)ACD/BCF (pH 5.5): 45.03; (6)ACD/BCF (pH 7.4): 45.03; (7)ACD/KOC (pH 5.5): 531.11; (8)ACD/KOC (pH 7.4): 531.11; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Index of Refraction: 1.433; (13)Molar Refractivity: 42.68 cm³; (14)Molar Volume: 164 cm³; (15)Surface Tension: 29.4 dyne/cm; (16)Density: 0.964 g/cm³; (17)Flash Point: 66.8 °C; (18)Enthalpy of Vaporization: 42.1 kJ/mol; (19)Boiling Point: 184.8 °C at 760 mmHg; (20)Vapour Pressure: 0.721 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCC=CCCOC(=O)OC
(2)Isomeric SMILES: CC/C=C/CCOC(=O)OC
(3)InChI: InChI=1S/C8H14O3/c1-3-4-5-6-7-11-8(9)10-2/h4-5H,3,6-7H2,1-2H3/b5-4+
(4)InChIKey: BLOXMGXSDAAJGX-SNAWJCMRSA-N

Product Name

3-cis-Hexenyl methyl carbonate

3-cis-Hexenyl methyl carbonate Specification

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