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Safety Information

522449

Sigma-Aldrich

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
Beilstein:
2251315
MDL number:
MFCD01111378
UNSPSC Code:
12352100
PubChem Substance ID:
24874274
NACRES:
NA.22

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.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

522449-VAR:
522449-BULK:
522449-1G:
522449-5G:

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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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