Butyl valerate

Basic Information

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CAS Number

591-68-4

Molecular Formula

C9H18O2

Molecular Weight

158.24 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Melting Point

-92.8°C

Boiling Point

185°C

Flash Point

67 ºC

Refractive Index

n20/D 1.412(lit.)

SMILES

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CCCCC(=O)OCCCC

InChI

InChI=1S/C9H18O2/c1-3-5-7-9(10)11-8-6-4-2/h3-8H2,1-2H3

InChIKey

OKJADYKTJJGKDX-UHFFFAOYSA-N

LogP

2.5199000000000007

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

99.7

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

Butyl pentanoate
BUTYL-VALERATE
Butyl Valerate
n-Butyl valerate
Pentanoic Acid Butyl Ester
Valeric Acid Butyl Ester
PENTANOIC ACID, BUTYL ESTER
Valeric acid, butyl ester
Butyl valerianate
n-butyl pentanoate
F93Z6CCM06
OKJADYKTJJGKDX-UHFFFAOYSA-N
BUTYLVALERATE
FEMA No. 2217
BuCO2Bu
Butyl valerate, >=98%
KSC489Q3D
FEMA 2217
8800AB
LMFA07010796
Butyl Pentanoate
butyl pentanoate

MDL Number

MFCD00015258

FAQ

What is Butyl valerate (CAS: 591-68-4)?

Butyl valerate is an ester compound with the chemical formula C7H14O2. It is commonly used as a flavor and fragrance ingredient in the food and cosmetic industries. It has a fruity and sweet aroma.

What are the main uses of Butyl valerate (CAS: 591-68-4)?

Butyl valerate is primarily used as a flavoring agent in the food industry and as a fragrance ingredient in cosmetics. It is also used as a solvent and in the synthesis of other chemicals.

Is Butyl valerate (CAS: 591-68-4) safe?

Butyl valerate is generally considered safe for use in the food and cosmetic industries when used in accordance with regulatory guidelines. However, it should be handled with care and appropriate personal protective equipment should be worn to avoid skin contact and inhalation.

How should Butyl valerate (CAS: 591-68-4) be stored?

Butyl valerate should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent evaporation and contamination. Avoid exposure to strong acids and bases.