4-Octenoic acid, methylester, (4Z)- supplier

Name
methyl (Z)-oct-4-enoate
EINECS 244-188-4
CAS No. 21063-71-8
Density 0.896 g/cm³
Solubility
Melting Point
Formula C₉H₁₆O₂
Boiling Point 173.9 °C at 760 mmHg
Molecular Weight 156.225
Flash Point 57.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl cis-4-octenoate;
PSA 26.30000
LogP 2.29590

4-Octenoic acid, methylester, (4Z)- Specification

The 4-Octenoic acid, methylester, (4Z)-, with the CAS registry number of 21063-71-8, is also known as Methyl cis-4-octenoate. Its EINECS registry number is 244-188-4. Its molecular formula is C₉H₁₆O₂ and molecular weight is 156.22214. What's more, its systematic name is Methyl (4Z)-oct-4-enoate.

Physical properties about the 4-Octenoic acid, methylester, (4Z)- are: (1)ACD/LogP: 3.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.04; (4)ACD/LogD (pH 7.4): 3.04; (5)ACD/BCF (pH 5.5): 120.19; (6)ACD/BCF (pH 7.4): 120.19; (7)ACD/KOC (pH 5.5): 1072.48; (8)ACD/KOC (pH 7.4): 1072.48; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.436; (14)Molar Refractivity: 45.57 cm³; (15)Molar Volume: 174.1 cm³; (16)Surface Tension: 28.4 dyne/cm; (17)Density: 0.896 g/cm³; (18)Flash Point: 57.3 °C; (19)Enthalpy of Vaporization: 41.02 kJ/mol; (20)Boiling Point: 173.9 °C at 760 mmHg; (21)Vapour Pressure: 1.24 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC)CC\C=C/CCC
(2) InChI: InChI=1/C9H16O2/c1-3-4-5-6-7-8-9(10)11-2/h5-6H,3-4,7-8H2,1-2H3/b6-5-
(3) InChIKey: SSPBQLGVUAXSMH-WAYWQWQTBT

Product Name

methyl (Z)-oct-4-enoate

4-Octenoic acid, methylester, (4Z)- Specification

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