ChemicalBook--->CAS DataBase List--->1070-83-3

1070-83-3

1070-83-3 Structure

1070-83-3 Structure
IdentificationMore
[Name]

3,3-Dimethylbutyric acid
[CAS]

1070-83-3
[Synonyms]

3,3,3-TRIMETHYLPROPIONIC ACID
3,3-DIMETHYLBUTANOIC ACID
3,3-DIMETHYLBUTYRIC ACID
CARBOXYLIC ACID C6
RARECHEM AL BE 0708
T-BUTYLACETIC ACID
TERT-BUTYLACETIC ACID
(CH3)3CCH2COOH
3,3-dimethyl-butanoicaci
3,3-Dimethylbuttersαure
3,3-Dimethyl-n-butyric acid
Butanoicacid,3,3-dimethyl-
Butyric acid, 3,3-dimethyl-
Butyricacid,3,3-dimethyl-
3,3-Dimethylbutyric
3,3-DIMETHYLBUTYRIC ACID,99+%
3,3-Dimethylbutyric acid ,98%
[EINECS(EC#)]

213-982-2
[Molecular Formula]

C6H12O2
[MDL Number]

MFCD00002715
[Molecular Weight]

116.16
[MOL File]

1070-83-3.mol
Chemical PropertiesBack Directory
[Appearance]

YELLOW LIQUID
[Melting point ]

−11 °C(lit.)
[Boiling point ]

185-190 °C(lit.)
[density ]

0.912 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.411(lit.)
[Fp ]

192 °F
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

clear liquid
[pka]

4.79±0.10(Predicted)
[color ]

Colorless to Light orange to Yellow
[Water Solubility ]

Soluble in water (19g/L).
[Merck ]

14,1538
[BRN ]

1740427
[InChI]

1S/C6H12O2/c1-6(2,3)4-5(7)8/h4H2,1-3H3,(H,7,8)
[InChIKey]

MLMQPDHYNJCQAO-UHFFFAOYSA-N
[SMILES]

CC(C)(C)CC(O)=O
[CAS DataBase Reference]

1070-83-3(CAS DataBase Reference)
[NIST Chemistry Reference]

Butanoic acid, 3,3-dimethyl-(1070-83-3)
[EPA Substance Registry System]

1070-83-3(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)
GHS05
[Signal word ]

Danger
[Hazard statements ]

H314
[Precautionary statements ]

P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
[Hazard Codes ]

C,Xi
[Risk Statements ]

R34:Causes burns.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/39:Wear suitable protective clothing and eye/face protection .
[RIDADR ]

UN 3265 8/PG 2
[WGK Germany ]

3
[Hazard Note ]

Corrosive/Irritant
[TSCA ]

Yes
[HazardClass ]

8
[PackingGroup ]

III
[HS Code ]

29159000
[Storage Class]

8A - Combustible corrosive hazardous materials
[Hazard Classifications]

Eye Dam. 1
Skin Corr. 1B
Raw materials And Preparation ProductsBack Directory
[Raw materials]

3,3-dimethylbutanal
[Preparation Products]

2,2-DIMETHYLPROPANE-->4-Amino-6-(tert-butyl)-3-mercapto-1,2,4-triazin-5(4H)-one-->1H-Benzimidazole,2-(2,2-dimethylpropyl)-(9CI)-->3,3-Dimethylbutyryl chloride
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3,3-Dimethylbutyric acid(1070-83-3).msds
Hazard InformationBack Directory
[Chemical Properties]

YELLOW LIQUID
[Uses]

3,3-Dimethylbutyric Acid is used in the synthesis of imidazo[4,5-c]pyridine derivatives as anitmicrobial agents.
[Definition]

ChEBI: A dimethylbutyric acid in which both methyl substituents are at C3; used as an intermediate in the synthesis of medicines and agricultural chemicals.
[Biotechnological Applications]

3,3-Dimethylbutyric acid can be used to study cell signaling pathways, including studying the role of G-protein coupled receptors in signal transduction.
Spectrum DetailBack Directory
[Spectrum Detail]

3,3-Dimethylbutyric acid(1070-83-3)MS
3,3-Dimethylbutyric acid(1070-83-3)1HNMR
3,3-Dimethylbutyric acid(1070-83-3)13CNMR
3,3-Dimethylbutyric acid(1070-83-3)IR1
3,3-Dimethylbutyric acid(1070-83-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

tert-Butylacetic acid, 98%(1070-83-3)
[Alfa Aesar]

3,3-Dimethylbutyric acid, 98%(1070-83-3)
[Sigma Aldrich]

1070-83-3(sigmaaldrich)
[TCI AMERICA]

tert-Butylacetic Acid,>98.0%(GC)(T)(1070-83-3)
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