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Ethyl 4-methylpentanoate

Ethyl 4-methylpentanoate structure

CAS No:
25415-67-2
Formula:
C8H16O2
Chemical Name:
Ethyl 4-methylpentanoate
Synonyms:
Pentanoic acid,4-methyl-,ethyl ester;Valeric acid,4-methyl-,ethyl ester;Ethyl 4-methylpentanoate;Ethyl isocaproate;Ethyl 4-methylvalerate;Ethyl isohexanoate
Categories:
Specialty Chemicals

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Description

Colorless clear liquid; fruity aroma.

Ethyl 4-methylpentanoate is a fatty acid ester.

Ethyl 4-methylpentanoate Basic Attributes

Molecular Weight：

144.21

Exact Mass：

144.21

EC Number：

246-955-9

UNII：

DZX6U00Q87

DSSTox ID：

DTXSID6067094

HScode：

2915900090

Characteristics

PSA：

26.3

XLogP3：

1.98570

Density：

0.8700 g/cm³ @ Temp: 420 °C

Melting Point：

-67°C (estimate)

Boiling Point：

163 °C

Flash Point：

43 °C

Refractive Index：

n20/D 1.406

Safety Information

Packing level：

III

Hazard category：

3.2

Transport codes：

UN 3272 3/PG 3

wgk germany：

hazard class code：

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Hazard Statements：

H226

GHS Classification：

|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Ethyl 4-methylpentanoate Use and Manufacturing

Manufacturing Info：

Pentanoic acid, 4-methyl-, ethyl ester: INACTIVE

Use Classification：

Fatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]

Computed Properties

Molecular Weight:144.21
XLogP3:2.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:144.115029749
Monoisotopic Mass:144.115029749
Topological Polar Surface Area:26.3
Heavy Atom Count:10
Complexity:97.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Ethyl isohexanoate

CAS No.: 25415-67-2

Grade: Industrial Grade

Content: 90%

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