| Identification | More | [Name]
1-METHYLCYCLOPROPANE-1-CARBOXYLIC ACID | [CAS]
6914-76-7 | [Synonyms]
Einecs 230-020-7
opropanecarboxyL
1-Methylcyclopropancarbonsure
1-Carboxy-1-methylcyclopropane
1-METHYLCYCLOPROPANECARBOXYLIC ACID
1-methyl cyclopropyl carboxylic acid
1-METHYLCYCLOPROPAN-1-CARBOXYLIC ACID
Cyclopropanecarboxylic acid, 1-methyl-
1-METHYLCYCLOPROPANE-1-CARBOXYLIC ACID
1-Methylcyclopropanecarboxylic acid 98%
1-Methylcyclopropane-1-carboxylicAcid> | [EINECS(EC#)]
230-020-7 | [Molecular Formula]
C5H8O2 | [MDL Number]
MFCD00001290 | [Molecular Weight]
100.12 | [MOL File]
6914-76-7.mol |
| Chemical Properties | Back Directory | [Melting point ]
30-32 °C (lit.) | [Boiling point ]
183-185 °C (lit.) | [density ]
1.283 | [refractive index ]
1.483 | [Fp ]
184 °F
| [storage temp. ]
Sealed in dry,Room Temperature | [Water Solubility ]
Slightly soluble in water | [form ]
powder to lump to clear liquid | [pka]
4.87±0.20(Predicted) | [color ]
White or Colorless to Almost white or Almost colorless | [BRN ]
2039384 | [InChI]
InChI=1S/C5H8O2/c1-5(2-3-5)4(6)7/h2-3H2,1H3,(H,6,7) | [InChIKey]
DIZKLZKLNKQFGB-UHFFFAOYSA-N | [SMILES]
C1(C)(C(O)=O)CC1 | [LogP]
0.620 (est) | [CAS DataBase Reference]
6914-76-7(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
C | [Risk Statements ]
R34:Causes burns. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S27:Take off immediately all contaminated clothing .
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 ]
UN 3261 8/PG 2
| [WGK Germany ]
3
| [Hazard Note ]
Corrosive | [HazardClass ]
8 | [PackingGroup ]
III | [HS Code ]
29162090 |
| Hazard Information | Back Directory | [Chemical Properties]
Colorless crystalline | [Uses]
1-Methylcyclopropanecarboxylic acid was used in the structure-activity studies of small carboxylic acids (SCAs). It was also used in the identification of selective orthosteric ligands for both free fatty acid receptor 2 (FFA2) and free fatty acid receptor 3 (FFA3). | [Synthesis]
General procedure for the synthesis of 1-methylcyclopropane-1-carboxylic acid from 2,2-dichloro-1-methylcyclopropanecarboxylic acid: 6.9 g of sodium metal and 120 mL of anhydrous toluene were added to a 500 mL three-necked round-bottomed flask equipped with a mechanical stirrer under nitrogen protection. The oil bath was heated until the sodium metal was completely melted and the sodium sand was formed by rapid stirring. Subsequently, 100 mL of anhydrous tetrahydrofuran was added to the reaction system and 16.9 g (0.1 mol) of 2,2-dichloro-1-methylcyclopropanecarboxylic acid dissolved in 30 mL of ethanol/water (19:3, v/v) was slowly added. After dropwise addition, the reaction was continued with stirring at room temperature for 1 hour. After completion of the reaction, 50 mL of concentrated hydrochloric acid was slowly added dropwise under stirring to the reaction mixture pH=1 and stirring was continued for half an hour. The reaction mixture was extracted with dichloromethane, and the organic phase was dried and the solvent was removed by evaporation under reduced pressure to give 9.26 g of 1-methylcyclopropane-1-carboxylic acid in 92.6% yield and ≥95% purity. | [References]
[1] Patent: CN104447293, 2016, B. Location in patent: Paragraph 0047-0049 |
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