3-Hexenyl 3-methylisocrotonate supplier

Name
HEXENYL-CIS-3-SENECIOATE
EINECS 265-766-2
CAS No. 65416-28-6
Density 0.908 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₈O₂
Boiling Point 244.3 °C at 760 mmHg
Molecular Weight 182.26
Flash Point 106.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Butenoic acid, 3-methyl-, (3Z)-3-hexenyl ester;cis-3-Hexenyl senecioate;2-Butenoic acid, 3-methyl-, 3-hexenyl ester, (Z)-;[(E)-hex-3-enyl] 3-methylbut-2-enoate;
PSA 26.30000
LogP 2.85210

3-Hexenyl 3-methylisocrotonate Specification

The 3-Hexenyl 3-methylisocrotonate, with the CAS registry number 65416-28-6, is also known as 2-Butenoic acid, 3-methyl-, (3Z)-3-hexenyl ester. Its EINECS number is 265-766-2. This chemical's molecular formula is C₁₁H₁₈O₂ and molecular weight is 182.25942. Its IUPAC name is called [(E)-hex-3-enyl] 3-methylbut-2-enoate.

Physical properties of 3-Hexenyl 3-methylisocrotonate: (1)ACD/LogP: 4.20; (2)ACD/LogD (pH 5.5): 4.2; (3)ACD/LogD (pH 7.4): 4.2; (4)ACD/BCF (pH 5.5): 915.62; (5)ACD/BCF (pH 7.4): 915.62; (6)ACD/KOC (pH 5.5): 4587.72; (7)ACD/KOC (pH 7.4): 4587.72; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 6; (10)Index of Refraction: 1.458; (11)Molar Refractivity: 54.74 cm³; (12)Molar Volume: 200.6 cm³; (13)Surface Tension: 28.8 dyne/cm; (14)Density: 0.908 g/cm³; (15)Flash Point: 106.2 °C; (16)Enthalpy of Vaporization: 48.13 kJ/mol; (17)Boiling Point: 244.3 °C at 760 mmHg; (18)Vapour Pressure: 0.0306 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCC=CCCOC(=O)C=C(C)C
(2)Isomeric SMILES: CC/C=C/CCOC(=O)C=C(C)C
(3)InChI: InChI=1S/C11H18O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h5-6,9H,4,7-8H2,1-3H3/b6-5+
(4)InChIKey: NIWIFUKCMGYZHJ-AATRIKPKSA-N

Product Name

HEXENYL-CIS-3-SENECIOATE

3-Hexenyl 3-methylisocrotonate Specification

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