3,3-dimethylbutanoic acid

Basic Information

View in Editor

CAS Number

1070-83-3

Molecular Formula

C6H12O2

Molecular Weight

116.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Physical Properties

Melting Point

−11 °C

Boiling Point

185-190 °C

Water Solubility

Soluble in water (19g/L).

Refractive Index

n20/D 1.411(lit.)

SMILES

View in Editor

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

InChI

InChI=1S/C6H12O2/c1-6(2,3)4-5(7)8/h4H2,1-3H3,(H,7,8)

InChIKey

MLMQPDHYNJCQAO-UHFFFAOYSA-N

LogP

1.5072

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

89.2

Safety Information

View Safety Information

GHS Hazard Pictograms

H314

Hazard Statement

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Hazard Class

Class 8 Class 8

Synonyms & References

English

STR03445
DTXSID0061450
1070-83-3
Butyric acid, 3,3-dimethyl-
tertbutylacetic acid
NSC 4537
TERT-BUTYLACETIC ACID [MI]
LMFA01020079
FT-0614077
3,3-DIMETHYLBUTYRIC ACID
3,3-Dimethylbutanoic acid
J-511082
EINECS 213-982-2
tert-Butylacetic acid
tert-Butyric acid
Z104478420
AI3-19252
SCHEMBL71379
CS-W013611
Butanoic acid,3-dimethyl-
BUTYRIC ACID, .BETA.,.BETA.-DIMETHYL-
EN300-20499
Q80K0TZQ55
3,3-dimethyl-butyric acid
MFCD00002715
t-Butylacetic acid;tert-Butylacetic acid
D78179
NSC-4537
Q27117927
3,3-Dimethylbutyric acid, 98%
3,3-dimethyl butanoic acid

MDL Number

MFCD00002715

Customs Code

2915900090

FAQ

What is 3,3-dimethylbutanoic acid (CAS: 1070-83-3)?

3,3-dimethylbutanoic acid (CAS: 1070-83-3) is a branched-chain carboxylic acid with the molecular formula C6H12O2. It is a colorless solid at room temperature, characterized by its sharp, acidic odor. The compound exhibits moderate solubility in organic solvents and limited solubility in water. Its structure includes two methyl groups attached to the third carbon of a butanoic acid backbone, making it a key intermediate in organic synthesis. Commonly used in chemical research and industrial applications, it is also known as 3,3-dimethylbutyric acid.

What are the main uses of 3,3-dimethylbutanoic acid (CAS: 1070-83-3)?

3,3-dimethylbutanoic acid (CAS: 1070-83-3) is widely utilized in the pharmaceutical industry as a precursor for drug synthesis. It also serves in the production of esters and polymers, which are employed in fragrances, coatings, and plastics. In the food industry, it may be used as a flavoring agent or in the development of food additives. Additionally, it is a valuable compound in research for organic chemistry studies and as a reagent in various chemical processes. Its versatility makes it relevant across multiple sectors.

Is 3,3-dimethylbutanoic acid (CAS: 1070-83-3) safe?

3,3-dimethylbutanoic acid (CAS: 1070-83-3) is generally considered safe when handled properly. However, it may cause mild irritation to the skin, eyes, or respiratory system upon exposure. Safety data sheets (SDS) recommend using appropriate personal protective equipment (PPE), such as gloves and goggles, and working in a well-ventilated area. It is not classified as highly toxic but should be managed according to standard chemical safety protocols to minimize risks. Always follow regulatory guidelines for handling and disposal to ensure safety.

How should 3,3-dimethylbutanoic acid (CAS: 1070-83-3) be stored?

3,3-dimethylbutanoic acid (CAS: 1070-83-3) should be stored in a sealed, airtight container in a cool (below 25°C), dry, and dark environment to maintain stability. It is hygroscopic, so moisture exposure should be avoided. Storage in a well-ventilated area is recommended to prevent accumulation of vapors. The compound remains stable at room temperature but may degrade if exposed to excessive heat or light. Ensure proper labeling and storage conditions to comply with safety standards.