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ChemicalBook--->CAS DataBase List--->3058-01-3

3058-01-3

3058-01-3 Structure

3058-01-3 Structure
IdentificationMore
[Name]

3-Methyladipic acid
[CAS]

3058-01-3
[Synonyms]

3-METHYLADIPIC ACID
3-METHYLHEXANEDIOIC ACID
3-METHYLADIPIC ACID 99%
3-methylhexanedioate
[EINECS(EC#)]

221-293-3
[Molecular Formula]

C7H12O4
[MDL Number]

MFCD00002804
[Molecular Weight]

160.17
[MOL File]

3058-01-3.mol
Chemical PropertiesBack Directory
[Appearance]

white fine crystalline powder
[Melting point ]

100-102 °C (lit.)
[Boiling point ]

230 °C/30 mmHg (lit.)
[density ]

1.197
[refractive index ]

1.4336 (estimate)
[Fp ]

171 °C
[storage temp. ]

Store at -20°C
[solubility ]

DMF: 14 mg/ml; DMSO: 12 mg/ml; Ethanol: 5 mg/ml; PBS (pH 7.2): 5 mg/ml
[form ]

powder to crystal
[pka]

4.66±0.10(Predicted)
[color ]

White to Almost white
[Water Solubility ]

198.7g/L(25.9 ºC)
[CAS DataBase Reference]

3058-01-3(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37:Wear suitable protective clothing and gloves .
[WGK Germany ]

3
[HS Code ]

29171990
Hazard InformationBack Directory
[Chemical Properties]

white fine crystalline powder
[Definition]

ChEBI: An alpha,omega-dicarboxylic acid that is adipic acid substituted with a methyl group at position C-3.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 40, p. 1488, 1975 DOI: 10.1021/jo00898a024
Spectrum DetailBack Directory
[Spectrum Detail]

3-Methyladipic acid(3058-01-3)MS
3-Methyladipic acid(3058-01-3)1HNMR
3-Methyladipic acid(3058-01-3)13CNMR
3-Methyladipic acid(3058-01-3)IR1
3-Methyladipic acid(3058-01-3)IR2
3-Methyladipic acid(3058-01-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Methyladipic acid, 99%(3058-01-3)
[Alfa Aesar]

3-Methyladipic acid, 99%(3058-01-3)
[Sigma Aldrich]

3058-01-3(sigmaaldrich)
[TCI AMERICA]

3-Methyladipic Acid,>99.0%(T)(3058-01-3)
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