3-Methylbutyl 3-methylbutanoate

Basic Information

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CAS Number

659-70-1

Molecular Formula

C10H20O2

Molecular Weight

172.27 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

-58.15°C

Boiling Point

192-193 ºC

Density

0.854

Flash Point

152 ºF

Solubility

0.016g/l

Refractive Index

1.412

SMILES

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CC(C)CCOC(=O)CC(C)C

InChI

InChI=1S/C10H20O2/c1-8(2)5-6-12-10(11)7-9(3)4/h8-9H,5-7H2,1-4H3

InChIKey

XINCECQTMHSORG-UHFFFAOYSA-N

LogP

2.6218000000000012

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

128

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

Isopentyl 3-methylbutanoate
Iso Amyl Isovalerate
Isovaleric acid isoamyl ester
n-Amyl-iso-valerianat
(3-methyl-1-butyl)3-methylbutanoate
3-methyl-butanoicaci3-methylbutylester
3-methyl-butanoicacid3-methyl-butylester
3-methylbutanoicacid3-methylbutylester
Apple oil
Butanoicacid,3-methyl-,3-methylbutylester
Isoamyl valerianate
3-Methylbutyl 3-Methylbutanoate
Isopentyl isovalerate
Iodoethane
Isovaleric Acid Isopentyl Ester
Isopentyl Isovalerate
Isovaleric Acid Isoamyl Ester
3-Methylbutyl 3-methylbutanoate

MDL Number

MFCD00048369

Customs Code

2915900090

FAQ

What is 3-Methylbutyl 3-methylbutanoate (CAS: 659-70-1)?

3-Methylbutyl 3-methylbutanoate is a clear, colorless liquid with a fruity odor. Its chemical formula is C9H18O2. It is used in the flavor and fragrance industry due to its pleasant aroma.

What are the main uses of 3-Methylbutyl 3-methylbutanoate (CAS: 659-70-1)?

3-Methylbutyl 3-methylbutanoate is primarily used as a food additive and flavoring agent in the food and beverage industry. It is also employed in fragrances and as a solvent in the chemical industry.

Is 3-Methylbutyl 3-methylbutanoate (CAS: 659-70-1) safe?

3-Methylbutyl 3-methylbutanoate is generally safe for use in food and cosmetics when used according to good manufacturing practices. However, it should be handled with care as it may cause skin irritation. Always follow safety guidelines and use appropriate personal protective equipment.

How should 3-Methylbutyl 3-methylbutanoate (CAS: 659-70-1) be stored?

3-Methylbutyl 3-methylbutanoate should be stored in a tightly sealed container in a cool, dry place, away from direct sunlight and heat sources. Maintain a temperature below 30°C to ensure stability. Avoid contact with incompatible materials such as strong acids and bases.