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Merck
CN

522449

α,4-Dimethylphenylacetic acid

97%

Synonym(s):

2-(4-Methylphenyl)propanoic acid, p-Methylhydratropic acid

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About This Item

Linear Formula:
CH3C6H4CH(CH3)CO2H
CAS Number:
938-94-3
Molecular Weight:
164.20
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24874274
MDL number:
MFCD01111378
Beilstein/REAXYS Number:
2251315

Key Documents

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Product Name

α,4-Dimethylphenylacetic acid, 97%

InChI

1S/C10H12O2/c1-7-3-5-9(6-4-7)8(2)10(11)12/h3-6,8H,1-2H3,(H,11,12)

SMILES string

CC(C(O)=O)c1ccc(C)cc1

InChI key

KDYOFXPLHVSIHS-UHFFFAOYSA-N

assay

97%

mp

37-42 °C (lit.)

Gene Information

human ... IL8RA(3577)

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General description

α,4-Dimethylphenylacetic acid is also referred to as 2-(4-methylphenyl)propanoic acid. It is an alkaline decomposition product of azalomycin-B, a macrolide antibiotic produced by Streptomyces hygroscopicus var. azalomyceticus. The reaction of pinonic acid with bromine in water affords 2-(4-methylphenyl)propanoic acid.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

230.0 °F - closed cup

flash_point_c

110 °C - closed cup

ppe

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKCN0974
MKCC4702
MKBX4021V
MKBP6311V
MKBL8656V

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Chemical Studies on Azalomycins. III. Alkaline Degradation of Azalomycin-B.
Tukahashi S and 0kki E.
Chemical & Pharmaceutical Bulletin, 15(11), 1726-1732 (1967)
Pinonic Acid-a Promising Chemical Raw Material.
Hedrick G and Lawrence R.
Industrial & Engineering Chemistry Fundamentals, 52(10), 853-856 (1960)
T Matsumoto et al.
Biological & pharmaceutical bulletin, 17(11), 1441-1445 (1994-11-01)
4-Isopropenyltoluene (8) was administered orally to rabbits and the following four optically active metabolites, 2-(p-tolyl)propanoic acid (10), p-(1-carboxyethyl)benzoic acid (11), 2-hydroxy-2-(p-tolyl)propanoic acid (12), and 2-(p-tolyl)-1,2-propanediol (13) were isolated from urine in addition to an optically inactive metabolite, 4-isopropenylbenzoic acid (9).

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