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Ethyl 3-methylpentanoate

Ethyl 3-methylpentanoate structure

CAS No:
5870-68-8
Formula:
C8H16O2
Chemical Name:
Ethyl 3-methylpentanoate
Synonyms:
Pentanoic acid,3-methyl-,ethyl ester;Valeric acid,3-methyl-,ethyl ester;Ethyl 3-methylpentanoate;Ethyl β-methylvalerate;Ethyl 3-methylvalerate;3-Methylvaleric acid ethyl ester
Categories:
Flavors and Fragrances > Synthetic Fragrances

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Description

Ethyl 3-methylpentanoate has a blueberry note.

colourless liquid

Ethyl 3-methylpentanoate is a fatty acid ester.

Ethyl 3-methylpentanoate Basic Attributes

Molecular Weight：

144.21

Exact Mass：

144.21

EC Number：

227-524-4

HScode：

2915900090

Characteristics

PSA：

26.3

XLogP3：

1.98570

Appearance：

colourless liquid

Density：

0.863 g/cm³ @ Temp: 20 °C

Boiling Point：

210-211 °C @ Press: 762 Torr

Flash Point：

75°C/50mm

Refractive Index：

1.4070

Water Solubility：

356.7 mg/L @ 25 °C (est)

Safety Information

Packing level：

III

Hazard category：

Transport codes：

3272

hazard class code：

safety instructions：

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 93 companies from 2 notifications to the ECHA C&L Inventory.

Ethyl 3-methylpentanoate Use and Manufacturing

Uses

Spices for food. Mainly used for fruity flavors.

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:144.21
XLogP3:2.3
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:99.4
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Ethyl 3-methylpentanoate

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

Ethyl 3-methylpentanoate

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