ChemicalBook--->CAS DataBase List--->621-36-3

621-36-3

621-36-3 Structure

621-36-3 Structure
IdentificationMore
[Name]

3-Methylphenylacetic acid
[CAS]

621-36-3
[Synonyms]

3-METHYLPHENYLACETIC ACID
3-TOLYLACETIC ACID
MTAA
M-TOLYLACETIC ACID
RARECHEM AL BO 0128
Benzeneacetic acid, 3-methyl-
m-Methylphenylacetic acid
meta-tolylacetic acid
m-Tolyacetic Acid
M-TOLYLACETIC ACID (MTAA)
m-Tolylacetic
2-(3-methylphenyl)acetic acid
3-Methylphenylacetic acid 98%
3-METHYLPHENYLETHANOICACID
3-Methylbenzeneacetic acid
[EINECS(EC#)]

210-683-9
[Molecular Formula]

C9H10O2
[MDL Number]

MFCD00004340
[Molecular Weight]

150.17
[MOL File]

621-36-3.mol
Chemical PropertiesBack Directory
[Appearance]

colorless to off-white shiny flakes and chunks
[Melting point ]

64-66 °C(lit.)
[Boiling point ]

231.72°C (rough estimate)
[density ]

1.0858 (rough estimate)
[refractive index ]

1.5002 (estimate)
[form ]

Shiny Flakes and Chunks
[pka]

4.30±0.10(Predicted)
[color ]

Colorless to off-white
[Water Solubility ]

Soluble in water.
[BRN ]

2043549
[InChI]

InChI=1S/C9H10O2/c1-7-3-2-4-8(5-7)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
[InChIKey]

GJMPSRSMBJLKKB-UHFFFAOYSA-N
[SMILES]

C1(CC(O)=O)=CC=CC(C)=C1
[CAS DataBase Reference]

621-36-3(CAS DataBase Reference)
[NIST Chemistry Reference]

m-Tolylacetic acid(621-36-3)
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 .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HS Code ]

29163900
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

Entacapone-->3-methylphenethyl bromide-->M-TOLYL-ACETYL CHLORIDE-->METHYL 3-METHYLPHENYLACETATE-->3-METHYLBENZYL ISOCYANATE-->3-Methylphenethyl alcohol-->CHEMBRDG-BB 9070521-->1H-Pyrazole-3-propanoic acid, 5-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)-α-(3-methylphenyl)--->2-bromo-5-methylphenylacetic acid
Hazard InformationBack Directory
[Chemical Properties]

colorless to off-white shiny flakes and chunks
[Uses]

m-Tolylacetic acid is used as a reactant in the diastereoselective preparation of arylmethylene-isoindolinones.
[Definition]

ChEBI: A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by a 3-methylphenyl group.
Spectrum DetailBack Directory
[Spectrum Detail]

3-Methylphenylacetic acid(621-36-3)MS
3-Methylphenylacetic acid(621-36-3)1HNMR
3-Methylphenylacetic acid(621-36-3)13CNMR
3-Methylphenylacetic acid(621-36-3)IR1
3-Methylphenylacetic acid(621-36-3)IR2
3-Methylphenylacetic acid(621-36-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

m-Tolylacetic acid, 97%(621-36-3)
[Alfa Aesar]

m-Tolylacetic acid, 99%(621-36-3)
[Sigma Aldrich]

621-36-3(sigmaaldrich)
[TCI AMERICA]

m-Tolylacetic Acid,>98.0%(T)(621-36-3)
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