Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

4-Methylphenylacetic acid

Related Products

Hot Products

Name

4-Methylphenylacetic acid

EINECS 210-738-7
CAS No. 622-47-9 Density 1.127 g/cm3
PSA 37.30000 LogP 1.62210
Solubility 4850 mg/l in water Melting Point 90-93 ºC
Formula C9H10O2 Boiling Point 265-267 ºC
Molecular Weight 150.177 Flash Point 173.5 ºC
Transport Information N/A Appearance white fine crystalline powder
Safety 26-36-24/25 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 622-47-9 (4-Methylphenylacetic acid) Hazard Symbols IrritantXi
Synonyms

Aceticacid, p-tolyl- (6CI,7CI,8CI);(4-Methylphenyl)acetic acid;2-(4-Methylphenyl)acetic acid;2-p-Tolylacetic acid;4-Methylbenzeneaceticacid;4-Tolylacetic acid;NSC 65595;p-Methylphenylacetic acid;p-Tolylaceticacid;4-Methylphenylacetic acid;

Article Data 127

4-Methylphenylacetic acid Specification

The Benzeneacetic acid,4-methyl-, with the CAS registry number 622-47-9, is also known as p-Methylphenylacetic acid. It belongs to Aromatic Phenylacetic Acids and Derivatives. Its EINECS number is 210-738-7. This chemical's molecular formula is C9H10O2 and molecular weight is 150.17. What's more, its IUPAC name is called 2-(4-methylphenyl)acetic acid.

Physical properties of Benzeneacetic acid,4-methyl- are: (1)ACD/LogP: 1.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.82; (4)ACD/BCF (pH 5.5): 1.33; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 20.21; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 26.3 Å2; (12)Index of Refraction: 1.546; (13)Molar Refractivity: 42.19 cm3; (14)Molar Volume: 133.1 cm3; (15)Surface Tension: 44.1 dyne/cm; (16)Density: 1.127 g/cm3; (17)Flash Point: 173.5 °C; (18)Enthalpy of Vaporization: 53.24 kJ/mol; (19)Boiling Point: 266 °C at 760 mmHg; (20)Vapour Pressure: 0.00442 mmHg at 25°C.

Preparation: this chemical can be prepared by p-tolyl-acetonitrile. This reaction will need reagent potassium phosphate buffer with the reaction temperature 30°C. The reaction time is 19 hours. The yield is about 82.6%.

Uses of Benzeneacetic acid,4-methyl-: it can be used to produce p-tolyl-acetic acid ethyl ester. It will need reagent sulfuric acid. The reaction time is 5 hours by heating. The yield is about 83%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you need rinse immediately with plenty of water and seek medical advice. You should wear suitable protective clothing and avoid contact with skin and eyes.
 
You can still convert the following datas into molecular structure:
(1)SMILES: CC1=CC=C(C=C1)CC(=O)O
(2)InChI: InChI=1S/C9H10O2/c1-7-2-4-8(5-3-7)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
(3)InChIKey: GXXXUZIRGXYDFP-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2270mg/kg (2270mg/kg)   Farmaco, Edizione Scientifica. Vol. 13, Pg. 286, 1958.

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 622-47-9