2,2-DIMETHYLBUTYRIC ACID

CAS No.
595-37-9
CCD No.
CCD00004022
Formula
C6 H12 O2
MolWeight
116.159

Basic Information

Product Name: 2,2-DIMETHYLBUTYRIC ACID
CAS: 595-37-9
English Synonyms: 2,2'-DIMETHYL BUTANOIC ACID ; 2,2-DIMETHYLBUTANOIC ACID ; 2,2-DIMETHYL BUTYRIC ACID ; NEOHEXANOIC ACID ; 2,2-DIMETHYLBUTYRIC ACID ; 2,2-DIMETHYL-N-BUTYRIC ACID
MDL Number.: MFCD00004200
H bond acceptor: 2
H bond donor: 1
Smile: CCC(C)(C)C(=O)O
InChi: InChI=1S/C6H12O2/c1-4-6(2,3)5(7)8/h4H2,1-3H3,(H,7,8)
InChiKey: InChIKey=VUAXHMVRKOTJKP-UHFFFAOYSA-N

Property

Boiling Point: MP: -14 DEG C/94-96 °C
Density: 0.928g/mLat25°C(lit.)
Physical Property: FLASHPOINT: 174.2 DEG F
FLASHPOINT: 79 DEG C
REFRACTIVE INDEX: N20/D 1.4154(LIT)
Comments: OTHER NOTES: TANDEM MASS SPECTROMETRY DATA INDEPENDENTLY GENERATED BY SCRIPPS CENTER FOR METABOLOMICS IS AVAILABLE TO VIEW OR DOWNLOAD IN PDF. D152609.PDF TESTED METABOLITES ARE FEATURED ON SCRIPPS CENTER FOR METABOLOMICS METLIN METABOLITE DATABASE. TO LEARN MORE, VISIT SIGMA.COM/METLIN
UNSPSC: 12352100
WGK: 3

Safety information

Symbol: GHS07 GHS07
Signal word: Warning
Hazard statements: H315-H319-H335
Precautionary statements: P261-P305 + P351 + P338
hazard symbol: Xi
Risk Code: R:36/37/38
Safe Code: S:26-36/37
UN Code: 3265
WGK Germany: 3

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