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:
Molecular Weight:
164.20
Beilstein:
2251315
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Assay
97%
mp
37-42 °C (lit.)
SMILES string
CC(C(O)=O)c1ccc(C)cc1
InChI
1S/C10H12O2/c1-7-3-5-9(6-4-7)8(2)10(11)12/h3-6,8H,1-2H3,(H,11,12)
InChI key
KDYOFXPLHVSIHS-UHFFFAOYSA-N
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.
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
Storage Class Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
230.0 °F - closed cup
Flash Point(C)
110 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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Pinonic Acid-a Promising Chemical Raw Material.
Hedrick G and Lawrence R.
Industrial & Engineering Chemistry Fundamentals, 52(10), 853-856 (1960)
Chemical Studies on Azalomycins. III. Alkaline Degradation of Azalomycin-B.
Tukahashi S and 0kki E.
Chemical & Pharmaceutical Bulletin, 15(11), 1726-1732 (1967)
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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