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Butyl valerate

Butyl valerate structure

CAS No:
591-68-4
Formula:
C9H18O2
Chemical Name:
Butyl valerate
Synonyms:
Pentanoic acid,butyl ester;Valeric acid,butyl ester;Butyl valerate;Butyl pentanoate;n-Butyl valerate;n-Butyl pentanoate
Categories:
Flavors and Fragrances > Synthetic Fragrances

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Description

Characteristic fruity (apple-raspberry) odor and corresponding sweet taste.

Liquid|liquid with an apple-raspberry odour

Butyl pentanoate is a fatty acid ester.

Butyl valerate Basic Attributes

Molecular Weight：

158.24

Exact Mass：

158.24

EC Number：

209-728-5

UNII：

F93Z6CCM06

DSSTox ID：

DTXSID3060455

HScode：

2915600000

Characteristics

PSA：

26.3

XLogP3：

2.7

Appearance：

Liquid

Density：

0.868 g/mL at 25 °C(lit.)

Melting Point：

-92.8 °C

Boiling Point：

185.8 °C

Flash Point：

152 °F

Refractive Index：

n20/D 1.412(lit.)

Water Solubility：

83.87mg/L(25 ºC)

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

10-36/37/38

safety instructions：

16-26-36

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H226 (96.91%): 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 1415 companies from 6 notifications to the ECHA C&L Inventory.

Butyl valerate Use and Manufacturing

Methods of Manufacturing

It is made by boiling and esterifying valeric acid and n-butanol in the presence of concentrated sulfuric acid.

Uses

Spices for food. Mainly used to prepare wine, apple, raspberry flavors.

Manufacturing Info：

Pentanoic acid, butyl ester: ACTIVE

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:158.24
XLogP3:2.7
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:7
Exact Mass:158.130679813
Monoisotopic Mass:158.130679813
Topological Polar Surface Area:26.3
Heavy Atom Count:11
Complexity:99.7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

1-Butanol

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Guide of Butyl valerate

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

Butyl valerate

SDS

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