| Identification | More | [Name]
3-(3-METHYLPHENYL)PROPIONIC ACID | [CAS]
3751-48-2 | [Synonyms]
3-(3-METHYLPHENYL)PROPANOIC ACID
3-(3-METHYLPHENYL)PROPIONIC ACID
3-METHYLHYDROCINNAMIC ACID
Propionic acid, 3-[3-methylphenyl]- | [Molecular Formula]
C10H12O2 | [MDL Number]
MFCD00060326 | [Molecular Weight]
164.2 | [MOL File]
3751-48-2.mol |
| Chemical Properties | Back Directory | [Melting point ]
39-42 °C (lit.) | [Boiling point ]
290℃ | [density ]
1.097 | [Fp ]
>230 °F
| [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
Acetone, DMSO, Methanol | [form ]
Solid | [pka]
pK1:4.677 (25°C) | [color ]
Off-White to Pale Yellow | [InChI]
InChI=1S/C10H12O2/c1-8-3-2-4-9(7-8)5-6-10(11)12/h2-4,7H,5-6H2,1H3,(H,11,12) | [InChIKey]
VWXVTHDQAOAENP-UHFFFAOYSA-N | [SMILES]
C1(CCC(O)=O)=CC=CC(C)=C1 | [CAS DataBase Reference]
3751-48-2(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R22:Harmful if swallowed.
R41:Risk of serious damage to eyes. | [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 . | [WGK Germany ]
2
| [HazardClass ]
IRRITANT | [HS Code ]
29163990 |
| Hazard Information | Back Directory | [Chemical Properties]
White solid | [Uses]
3-m-Tolylpropanoic Acid is used in the synthesis of piperidine antagonists as CCR1-selective inhibitors. via parallel synthesis. Also used in the synthesis of small molecule antagonists of vasoactive intestinal. peptide receptor1 (VIPR1). |
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