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ISOPENTYL VALERATE

ISOPENTYL VALERATE structure

CAS No:
2050-09-1
Formula:
C10H20O2
Chemical Name:
ISOPENTYL VALERATE
Synonyms:
(3-methyl-1-butyl)pentanoate;iso-Amyl N-valerate;Isopentyl pentanoate;pentanoicacid,3-methylbutylester;pentanoicacid3-methyl-butylester;Valeric acid, 3-methylbutyl ester;3-METHYLBUTYL PENTANOATE;ISOAMYL VALERATE
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.

ISOPENTYL VALERATE Basic Attributes

Molecular Weight：

172.26

Exact Mass：

172.26

EC Number：

218-081-8

UNII：

7HQJ459H95

NSC Number：

7006

DSSTox ID：

DTXSID70174484

Color/Form：

Colorless to Almost colorless

HScode：

2915.60.5000

Characteristics

PSA：

26.30000

XLogP3：

2.76590

Density：

0.862 g/mL at 20 °C(lit.)

Melting Point：

-68.47°C (estimate)

Boiling Point：

188°C(lit.)

Flash Point：

71.4ºC

Refractive Index：

n20/D1.416

Water Solubility：

38.59 mg/L @ 25 °C (est)

Vapor Pressure：

0.413mmHg at 25°C

Odor：

at 100.00 %. fruity ripe apple green

Safety Information

Transport codes：

UN 3082 9/PG 3

wgk germany：

hazard class code：

safety instructions：

Marks：

N: Dangerous for the environment;

Hazard Statements：

51/53

RIDADR：

UN 3082 9/PG 3

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.

ISOPENTYL 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
Sodium valerate

6106-41-8
Bornyl valerate Formula

7549-41-9
Hydrocortisone valerate Formula

57524-89-7
2-Ethylhexyl valerate Formula

5451-87-6
Citronellyl valerate Structure

7540-53-6
Cholesteryl valerate Structure

7726-03-6
What is Cinnamyl valerate

10482-65-2
What is Phenylethyl valerate

7460-74-4

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Guide of ISOPENTYL VALERATE

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

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