Hexanoic acid,4-methyl-, methyl ester supplier

Name
METHYL 4-METHYLHEXANOATE
EINECS
CAS No. 2177-82-4
Density 0.876 g/cm³
Solubility
Melting Point
Formula C₈H₁₆O₂
Boiling Point 156.3 °C at 760 mmHg
Molecular Weight 144.214
Flash Point 46.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Methylhexanoicacid methyl ester;Methyl 4-methylhexanoate;
PSA 26.30000
LogP 1.98570

Hexanoic acid,4-methyl-, methyl ester Specification

The CAS registry number of Hexanoic acid,4-methyl-, methyl ester is 2177-82-4. This chemical's molecular formula is C₈H₁₆O₂ and molecular weight is 144.21. What's more, its systematic name is Methyl 4-methylhexanoate.

Physical properties about Hexanoic acid,4-methyl-, methyl ester are: (1)ACD/LogP: 2.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.65; (4)ACD/LogD (pH 7.4): 2.65; (5)ACD/BCF (pH 5.5): 60.79; (6)ACD/BCF (pH 7.4): 60.79; (7)ACD/KOC (pH 5.5): 658.39; (8)ACD/KOC (pH 7.4): 658.39; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.411; (14)Molar Refractivity: 40.84 cm³; (15)Molar Volume: 164.4 cm³; (16)Polarizability: 16.19×10^-24cm³; (17)Surface Tension: 26.3 dyne/cm; (18)Density: 0.876 g/cm³; (19)Flash Point: 46.7 °C; (20)Enthalpy of Vaporization: 39.3 kJ/mol; (21)Boiling Point: 156.3 °C at 760 mmHg; (22)Vapour Pressure: 2.91 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)CCC(CC)C
(2)InChI: InChI=1/C8H16O2/c1-4-7(2)5-6-8(9)10-3/h7H,4-6H2,1-3H3
(3)InChIKey: OTOLBWRSIUFKOJ-UHFFFAOYAV

Product Name

METHYL 4-METHYLHEXANOATE

Hexanoic acid,4-methyl-, methyl ester Specification

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