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Isoamyl valerate

Isoamyl valerate structure

CAS No:
2050-09-1
Formula:
C10H20O2
Chemical Name:
Isoamyl valerate
Synonyms:
Pentanoic acid,3-methylbutyl ester;Valeric acid,isopentyl ester;Isopentyl alcohol,valerate;3-Methylbutyl valerate;Isoamyl valerate;3-Methyl-1-butyl n-valerate;3-Methylbutyl pentanoate;Isopentyl pentanoate;Isopentyl valerate;Isoamyl n-valerate;NSC 7006
Categories:
Cosmetic Ingredient > Perfuming

Description

Clear liquid; odor of apple when diluted with alcohol.Soluble in alcohol and ether; slightly soluble in water. Combustible.

3-Methylbutyl pentanoate is a fatty acid ester.

Isoamyl valerate Basic Attributes

Molecular Weight：

172.26500

Exact Mass：

172.26

EC Number：

218-081-8

UNII：

7HQJ459H95

NSC Number：

7006

DSSTox ID：

DTXSID70174484

HScode：

2915600000

Characteristics

PSA：

26.30000

XLogP3：

2.76590

Density：

0.872g/cm3

Melting Point：

-68.47°C (estimate)

Boiling Point：

187-190 °C

Flash Point：

71.4ºC

Refractive Index：

n20/D 1.416

Water Solubility：

38.59 mg/L @ 25 °C (est)

Vapor Pressure：

0.413mmHg at 25°C

Safety Information

Transport codes：

UN 3082 9/PG 3

wgk germany：

hazard class code：

51/53

safety instructions：

Marks：

N: Dangerous for the environment;

GHS Classification：

|Warning|H226 (84.95%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P273, P280, P303+P361+P353, P370+P378, P391, P403+P235, and P501|Aggregated GHS information provided by 93 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Isoamyl valerate Use and Manufacturing

Uses

Fruit essences, flavoring agent.

Use Classification：

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

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:172.26
XLogP3:3.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:7
Exact Mass:172.146329876
Monoisotopic Mass:172.146329876
Topological Polar Surface Area:26.3
Heavy Atom Count:12
Complexity:119
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Learn More Other Chemicals

Ethyl valerate

539-82-2
Valerate anion

10023-74-2
Bornyl valerate

7549-41-9
Isoamyl octanoate Formula

2035-99-6
Isoamyl lactate Formula

19329-89-6
ETHYL ISOAMYL SULFIDE Formula

66481-77-4
Isoamyl isobutyrate Structure

2050-01-3
Isoamyl gallate Structure

2486-02-4
What is Isoamyl nitrate

543-87-3
What is Isoamyl propionate

105-68-0

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Guide of Isoamyl valerate

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

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