ChemicalBook--->CAS DataBase List--->622-47-9

622-47-9

622-47-9 Structure

622-47-9 Structure
IdentificationMore
[Name]

4-Methylphenylacetic acid
[CAS]

622-47-9
[Synonyms]

4-METHYLPHENYLACETIC ACID
4-TOLYLACETIC ACID
ASISCHEM D13361
P-METHYLPHENYL ACETIC ACID
P-TOLYLACETIC ACID
RARECHEM AL BO 0137
(p-tolyl)-aceticaci
4-Methylbenzeneacetic acid
4-methyl-benzeneaceticaci
4-methylbenzeneaceticacid
Acetic acid, (p-tolyl)-
Benzeneacetic acid, 4-methyl-
p-Tolyacetic acid
4-Methylphylacetic Acid
p-Tolylaceticacid,99%
p-Tolylacetic
4-Methylphenylacetic acid 98%
4-METHYLPHENYLETHANOICACID
P-METHYLPHENYLACETIC ACID/P-TOLYLACETIC ACID
49) PARA METHYL PHENYL ACETIC ACID
[EINECS(EC#)]

210-738-7
[Molecular Formula]

C9H10O2
[MDL Number]

MFCD00004353
[Molecular Weight]

150.17
[MOL File]

622-47-9.mol
Chemical PropertiesBack Directory
[Appearance]

white fine crystalline powder
[Melting point ]

88-92 °C (lit.)
[Boiling point ]

265-267 °C (lit.)
[density ]

1.0858 (rough estimate)
[refractive index ]

1.5002 (estimate)
[Fp ]

265-267°C
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

soluble in Methanol
[form ]

Fine Crystalline Powder
[pka]

pK1:4.370 (25°C)
[color ]

White
[BRN ]

2043528
[InChI]

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

GXXXUZIRGXYDFP-UHFFFAOYSA-N
[SMILES]

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

622-47-9(CAS DataBase Reference)
[NIST Chemistry Reference]

p-Tolylacetic acid(622-47-9)
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 .
S36:Wear suitable protective clothing .
S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[RTECS ]

AJ7569000
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT
[HS Code ]

29163900
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

2-(4-Methylphenyl)propanoic acid-->2-P-TOLYL-ETHANESULFONYL CHLORIDE-->Methyl 2-(4-(hydroxyMethyl)phenyl)acetate-->4-(Bromomethyl)phenylaceticacidphenacylester-->(S)-4-(3-((tert-butoxycarbonyl)amino)-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl)benzyl 2,4-dimethylbenzoate-->Carbon dioxide-->N-(5-BROMO-2-PYRIDINYL)-4-METHYL-BENZAMIDE-->PHENACYL 4-(BROMOMETHYL)PHENYLACETATE-->ASISCHEM D51193-->4-(HYDROXYMETHYL)PHENYLACETIC ACID
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-Methylphenylacetic acid(622-47-9).msds
Hazard InformationBack Directory
[Chemical Properties]

white fine crystalline powder
[Uses]

p-Tolylacetic acid is a reagent used in the preparation of quaternary amines and epithelial sodium channel inhibition in bronchial epithelium.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 48, p. 1919, 1983 DOI: 10.1021/jo00159a031
Tetrahedron Letters, 28, p. 2633, 1987 DOI: 10.1016/S0040-4039(00)96167-7
[Purification Methods]

Crystallise the acid from heptane or water. [Beilstein 9 IV 1795.]
Spectrum DetailBack Directory
[Spectrum Detail]

4-Methylphenylacetic acid(622-47-9)MS
4-Methylphenylacetic acid(622-47-9)1HNMR
4-Methylphenylacetic acid(622-47-9)13CNMR
4-Methylphenylacetic acid(622-47-9)IR1
4-Methylphenylacetic acid(622-47-9)IR2
4-Methylphenylacetic acid(622-47-9)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

p-Tolylacetic acid, 99%(622-47-9)
[Alfa Aesar]

p-Tolylacetic acid, 99%(622-47-9)
[Sigma Aldrich]

622-47-9(sigmaaldrich)
[TCI AMERICA]

p-Tolylacetic Acid,>98.0%(GC)(T)(622-47-9)
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