m-Tolylacetic acid - CAS 621-36-3

Catalog:	BB031429
Product Name:	m-Tolylacetic acid
CAS:	621-36-3
Synonyms:	2-(3-methylphenyl)acetic acid

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	2-(3-methylphenyl)acetic acid
Description:	m-Tolylacetic acid (CAS# 621-36-3) is used as a reactant in the diastereoselective preparation of arylmethylene-isoindolinones.
Molecular Weight:	150.17
Molecular Formula:	C9H10O2
Canonical SMILES:	CC1=CC(=CC=C1)CC(=O)O
InChI:	InChI=1S/C9H10O2/c1-7-3-2-4-8(5-7)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
InChI Key:	GJMPSRSMBJLKKB-UHFFFAOYSA-N
Boiling Point:	275.5 °C at 760 mmHg
Melting Point:	61-66 °C
Purity:	98 %
Density:	1.127 g/cm³
Solubility:	4065 mg/L at 25 °C (est)
Appearance:	White to light beige powder.
MDL:	MFCD00004340
LogP:	1.62210

Publication Number	Title	Priority Date
CN-112851538-A	Method for promoting acylation of amine or alcohol by carbon dioxide	20210305
CN-112679547-A	Preparation method of oil-soluble carboxylic acid complex	20210107
CN-112830874-A	Preparation method of oil-soluble molybdenum carboxylate	20210107
CN-111809068-A	Preparation method of ammonium metavanadate for all-vanadium redox flow battery	20200908
CN-111809068-B	Preparation method of ammonium metavanadate for all-vanadium redox flow battery	20200908

PMID	Publication Date	Title	Journal
22259508	20120101	N-(4,6-Dimeth-oxy-pyrimidin-2-yl)-2-(3-methyl-phen-yl)acetamide	Acta crystallographica. Section E, Structure reports online
22064942	20111001	N-(4-Chloro-1,3-benzothia-zol-2-yl)-2-(3-methyl-phen-yl)acetamide monohydrate	Acta crystallographica. Section E, Structure reports online

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[927676-51-5]
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid
[438616-66-1]
2-(4-Tert-Butylphenyl)cyclopropanecarbohydrazide

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	143
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	150.068079557
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	150.068079557
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9