| Identification | More |  [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 Properties | Back 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 Data | Back 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 Information | Back 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 |  
  
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