3-Octenoic acid,4-methyl-, ethyl ester, (3Z)- supplier

Name
ethyl (Z)4-methyl-oct-3-enoate
EINECS 256-007-6
CAS No. 42933-14-2
Article Data1
CAS DataBase
Density 0.89 g/cm³
Solubility
Melting Point
Formula C₁₁H₂₀O₂
Boiling Point 232 °C at 760 mmHg
Molecular Weight 184.279
Flash Point 79.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Octenoicacid, 4-methyl-, ethyl ester, (Z)- (9CI);(Z)-Ethyl 4-methyloct-3-enoate;
PSA 26.30000
LogP 3.07610

3-Octenoic acid,4-methyl-, ethyl ester, (3Z)- Specification

The 3-Octenoic acid, 4-methyl-, ethyl ester, (3Z)-, with the CAS registry number of 42933-14-2, is also known as (Z)-4-Methyl-3-octenoic acid ethyl ester. Its EINECS registry number is 256-007-6. This chemical's molecular formula is C₁₁H₂₀O₂ and molecular weight is 184.2753. What's more, its IUPAC name is Ethyl (Z)-4-methyloct-3-enoate.

Physical properties about 3-Octenoic acid, 4-methyl-, ethyl ester, (3Z)- are: (1)ACD/LogP: 4.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.21; (4)ACD/LogD (pH 7.4): 4.21; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 7; (8)Polar Surface Area: 26.3 Å²; (9)Index of Refraction: 1.441; (10)Molar Refractivity: 54.68 cm³; (11)Molar Volume: 207 cm³; (12)Surface Tension: 28.4 dyne/cm; (13)Density: 0.89 g/cm³; (14)Flash Point: 79.7 °C; (15)Enthalpy of Vaporization: 46.87 kJ/mol; (16)Boiling Point: 232 °C at 760 mmHg; (17)Vapour Pressure: 0.0605 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CCOC(=O)CC=C(C)CCCC
(2) InChI: InChI=1/C11H20O2/c1-4-6-7-10(3)8-9-11(12)13-5-2/h8H,4-7,9H2,1-3H3
(3) InChIKey: XHNOQRNNBVTOCM-UHFFFAOYAS

Product Name

ethyl (Z)4-methyl-oct-3-enoate

3-Octenoic acid,4-methyl-, ethyl ester, (3Z)- Specification

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