ChemicalBook--->CAS DataBase List--->130776-67-9

130776-67-9

130776-67-9 Structure

130776-67-9 Structure
IdentificationBack Directory
[Name]

2,2-DIMETHYLCAPRYLIC ACID
[CAS]

130776-67-9
[Synonyms]

2,2-DIMETHYLOCTANOIC ACID
2,2-DIMETHYLCAPRYLIC ACID
Octanoic acid, 7,7-dimethyl-
[Molecular Formula]

C10H20O2
[MDL Number]

MFCD00068291
[MOL File]

130776-67-9.mol
[Molecular Weight]

172.26
Chemical PropertiesBack Directory
[Boiling point ]

138-139 °C(Press: 9 Torr)
[density ]

0.9086 g/mL at 25℃
[refractive index ]

n20/D1.439
[storage temp. ]

Refrigerator
[solubility ]

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

liquid
[pka]

4.78±0.10(Predicted)
[color ]

Colourless
[InChI]

1S/C10H20O2/c1-10(2,3)8-6-4-5-7-9(11)12/h4-8H2,1-3H3,(H,11,12)
[InChIKey]

YPIFGDQKSSMYHQ-UHFFFAOYSA-N
[SMILES]

OC(=O)CCCCCC(C)(C)C
Safety DataBack Directory
[WGK Germany ]

3
[Storage Class]

10 - Combustible liquids
Hazard InformationBack Directory
[Uses]

2,2-Dimethyloctanoic Acid is used in biological studies as benzyl dimethyloctanoate metabolite of sewage bacteria.
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