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1118-47-4

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1118-47-4 Structure

1118-47-4 Structure
IdentificationBack Directory
[Name]

4,4-DIMETHYLPENTANOIC ACID
[CAS]

1118-47-4
[Synonyms]

4,4-Dimethylvaleric acid
4,4-DIMETHYLPENTANOIC ACID
Pentanoic acid, 4,4-dimethyl-
4,4-dimethylpentanoic acid(SALTDATA: FREE)
[Molecular Formula]

C7H14O2
[MDL Number]

MFCD00101613
[MOL File]

1118-47-4.mol
[Molecular Weight]

130.18
Chemical PropertiesBack Directory
[Melting point ]

81.5-82 °C
[Boiling point ]

210.1°C (estimate)
[density ]

0.9221 (rough estimate)
[refractive index ]

1.4078 (estimate)
[storage temp. ]

Store at room temperature
[form ]

liquid
[pka]

pK1:4.79 (18°C)
[color ]

Clear, colourless
[InChI]

InChI=1S/C7H14O2/c1-7(2,3)5-4-6(8)9/h4-5H2,1-3H3,(H,8,9)
[InChIKey]

HMMSZUQCCUWXRA-UHFFFAOYSA-N
[SMILES]

C(O)(=O)CCC(C)(C)C
[EPA Substance Registry System]

4,4-Dimethylpentanoic acid (1118-47-4)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36
[Safety Statements ]

26
[TSCA ]

TSCA listed
[HazardClass ]

IRRITANT
[HS Code ]

2915907098
Hazard InformationBack Directory
[Definition]

ChEBI: 4,4-dimethyl valeric acid is a methyl-branched fatty acid.
[Synthesis Reference(s)]

Tetrahedron Letters, 21, p. 2181, 1980 DOI: 10.1016/S0040-4039(00)78992-1
Spectrum DetailBack Directory
[Spectrum Detail]

4,4-DIMETHYLPENTANOIC ACID(1118-47-4)1HNMR
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