3-Methylbutyl butyrate

Basic Information

View in Editor

CAS Number

106-27-4

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

-73 ºC

Boiling Point

184-185 °C

Solubility

0.5g/l

Refractive Index

n20/D 1.411(lit.)

SMILES

View in Editor

CCCC(=O)OCCC(C)C

InChI

InChI=1S/C9H18O2/c1-4-5-9(10)11-7-6-8(2)3/h8H,4-7H2,1-3H3

InChIKey

PQLMXFQTAMDXIZ-UHFFFAOYSA-N

LogP

2.375800000000001

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

108

Safety Information

View Safety Information

GHS Hazard Pictograms

H226

H315

H319

H335

Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

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

Hazard Class

Class 3 Class 3

Synonyms & References

English

Isopentyl butyrate
Butanoic acid, 3-methylbutyl ester
Isoamyl butyrate
Butyric Acid Isoamyl Ester
BUTYRIC ACID ISOAMYL ESTER(AS)
ISO-AMYL BUTYRATE
Isoamyl-n-butyrate
1-Butanol
3-methylbutyl butanoate
Isobutylbenzene
Butyric acid 3-methylbutyl ester
FEMA 2060
3-methylbutyl
isoamylbutylate
Isoamly butyrate
Isopentylbutyate
Pentyl butancate
ISOAMYL BUTANOATE
Isoamyl butylate
丁酸异戊酯
3-Methylbutyl butanoate
ISOAMYL BUTYRATE
ISOPENTYL BUTYRATE

MDL Number

MFCD00044888

Customs Code

2915600000

FAQ

What is 3-Methylbutyl butyrate (CAS: 106-27-4)?

3-Methylbutyl butyrate is an ester compound with the chemical formula C10H20O2. It is characterized by its fruity, sweet aroma and is widely used in the fragrance and flavor industry. This compound is also utilized in the production of perfumes and as a flavoring agent in food products.

What are the main uses of 3-Methylbutyl butyrate (CAS: 106-27-4)?

3-Methylbutyl butyrate is primarily used in the fragrance and flavor industry. It serves as a key component in perfumes and colognes due to its pleasant, fruity scent. Additionally, it is employed as a flavoring agent in various food and beverages, enhancing their aromatic profiles. The compound is also used in the pharmaceutical and cosmetic sectors for its scent characteristics.

Is 3-Methylbutyl butyrate (CAS: 106-27-4) safe?

3-Methylbutyl butyrate is considered safe for its intended use in the fragrance and flavor industry. However, it is important to follow proper handling procedures, such as wearing appropriate personal protective equipment (PPE) and ensuring good ventilation. It is essential to avoid contact with eyes and skin, and to store it in a cool, dry place away from direct sunlight and heat sources. Ingestion or inhalation should be avoided, and it should be disposed of according to local regulations.

How should 3-Methylbutyl butyrate (CAS: 106-27-4) be stored?

3-Methylbutyl butyrate should be stored in a cool, dry place, preferably in a temperature-controlled environment below 25°C. It should be kept away from direct sunlight and sources of heat to maintain its stability. The compound should be stored in a sealed container to prevent exposure to air, moisture, and contaminants. It is recommended to store it in a dark place to avoid light degradation. Ensure that the storage area is well-ventilated to prevent the buildup of flammable vapors and to maintain a safe working environment.