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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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    2177-82-4

    Hexanoic acid,4-methyl-, methyl ester

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    Henan Wentao Chemical Product Co.,Ltd is Located in Zhengzhou High-tech Development Zone with import and export license, We passed ISO 9001:2008 as well, Henan Wentao has developed more than 1000 compounds, which are widely used in the fields of prod

    The company is Located in Zhengzhou High-tech Development Zone with import and export license, We passed ISO 9001:2008 as well, Henan Wentao has developed more than 1000 compounds,

  •  Henan Wentao Chemical Product Co., Ltd.

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  • Hexanoic acid,4-methyl-, methyl ester

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    2177-82-4

    Hexanoic acid,4-methyl-, methyl ester

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    Zibo Hangyu Biotechnology Development Co., Ltd is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and OLED intermediates and other fine chemi

    Hangyu Biotech is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and O

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  • Hexanoic acid,4-methyl-, methyl ester

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    2177-82-4

    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

    Antimex Chemical Limied, was founded in 2001, we are specializing in manufacturing & researching of Active pharmaceutical Ingredients,Veterinary pharm APIs,cosmetic ingredients,and

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  • Hexanoic acid,4-methyl-, methyl ester

  • Casno:

    2177-82-4

    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

    We are a team of industry experts, dedicated to delivering the best chemical solutions from quality suppliers across China. Putting our customers first, we take a holistic approach

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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