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2177-82-4

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Basic Information
CAS No.: 2177-82-4
Name: METHYL 4-METHYLHEXANOATE
Molecular Structure:
Molecular Structure of 2177-82-4 (METHYL 4-METHYLHEXANOATE)
Formula: C8H16O2
Molecular Weight: 144.214
Synonyms: 4-Methylhexanoicacid methyl ester;Methyl 4-methylhexanoate;
Density: 0.876 g/cm3
Boiling Point: 156.3 °C at 760 mmHg
Flash Point: 46.7 °C
PSA: 26.30000
LogP: 1.98570
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  • Hexanoic acid,4-methyl-, methyl ester

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    Hexanoic acid,4-methyl-, methyl ester

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    factory?direct?sale Application:Fine chemical intermediates, used as the main raw material for the synthesis of various pesticides, medicines, surfactants, polymer monomers, and antifungal agents

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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: 16.19×10-24 cm3; (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