ChemicalBook--->CAS DataBase List--->813-72-9

813-72-9

813-72-9 Structure

813-72-9 Structure
IdentificationMore
[Name]

2,2-DIMETHYLHEXANOIC ACID
[CAS]

813-72-9
[Synonyms]

2,2-DIMETHYLHEXANOIC ACID
NEOOCTANOIC ACID
2,2-Dimethylhexanoicacid,94%
2,2-Dimethylhexanoic acid 98%
[Molecular Formula]

C8H16O2
[MDL Number]

MFCD00965097
[Molecular Weight]

144.21
[MOL File]

813-72-9.mol
Chemical PropertiesBack Directory
[Melting point ]

-21.25°C (estimate)
[Boiling point ]

216-220°C
[density ]

0,913 g/cm3
[refractive index ]

1.4270
[Fp ]

216-220°C
[solubility ]

Chloroform (Slightly), Ethyl Acetate (Slightly)
[form ]

clear liquid
[pka]

4.86±0.45(Predicted)
[color ]

Colorless to Almost colorless
[BRN ]

1749961
[CAS DataBase Reference]

813-72-9(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

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) .
[RIDADR ]

3265
[Hazard Note ]

Irritant
[HazardClass ]

8
[PackingGroup ]

II
[HS Code ]

2915907098
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

Dimethyl 3,3-dimethyl-2-oxoheptylphosphonate
Hazard InformationBack Directory
[Uses]

2,2-Dimethylhexanoic Acid is a reagent used in the esterification process.
[Definition]

ChEBI: 2,2-dimethyl-hexanoic acid is a medium-chain fatty acid.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 89, p. 2500, 1967 DOI: 10.1021/ja00986a056
Spectrum DetailBack Directory
[Spectrum Detail]

2,2-DIMETHYLHEXANOIC ACID(813-72-9)MS
2,2-DIMETHYLHEXANOIC ACID(813-72-9)1HNMR
2,2-DIMETHYLHEXANOIC ACID(813-72-9)13CNMR
2,2-DIMETHYLHEXANOIC ACID(813-72-9)IR1
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

2,2-Dimethylhexanoic acid, 94%(813-72-9)
[TCI AMERICA]

2,2-Dimethylhexanoic Acid(813-72-9)
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