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Safety Information

B88403

Sigma-Aldrich

3,3-Dimethylbutyric acid

98%

Synonym(s):

tert-Butylacetic acid

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About This Item

Linear Formula:
(CH3)3CCH2COOH
CAS Number:
Molecular Weight:
116.16
Beilstein:
1740427
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Assay

98%

form

liquid

refractive index

n20/D 1.411 (lit.)

bp

185-190 °C (lit.)

mp

−11 °C (lit.)

density

0.912 g/mL at 25 °C (lit.)

SMILES string

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

InChI

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

InChI key

MLMQPDHYNJCQAO-UHFFFAOYSA-N

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Pictograms

Corrosion

Signal Word

Danger

Hazard Statements

Hazard Classifications

Eye Dam. 1 - Skin Corr. 1B

Storage Class Code

8A - Combustible corrosive hazardous materials

WGK

WGK 3

Flash Point(F)

192.2 °F - closed cup

Flash Point(C)

89 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

B88403-VAR:
B88403-25G:
B88403-100G:
B88403-BULK:


Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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A novel liquid chromatography tandem mass spectrometry (LCMSMS) method for the quantitative measurement of gut microbial-derived short-chain fatty acids (SCFAs) in human infant stool has been developed and validated. Baseline chromatographic resolution was achieved for 12 SCFAs (acetic, butyric, caproic
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