Methyl 2-(o-Tolyl)acetate - CAS 40851-62-5

Catalog:	BB024692
Product Name:	Methyl 2-(o-Tolyl)acetate
CAS:	40851-62-5
Synonyms:	2-(2-methylphenyl)acetic acid methyl ester; methyl 2-(2-methylphenyl)acetate

Technical Data

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Computed Properties

IUPAC Name:	methyl 2-(2-methylphenyl)acetate
Description:	Methyl 2-(o-Tolyl)acetate (CAS# 40851-62-5) is a useful research chemical.
Molecular Weight:	164.20
Molecular Formula:	C10H12O2
Canonical SMILES:	CC1=CC=CC=C1CC(=O)OC
InChI:	InChI=1S/C10H12O2/c1-8-5-3-4-6-9(8)7-10(11)12-2/h3-6H,7H2,1-2H3
InChI Key:	BLEMRRXGTKTJGT-UHFFFAOYSA-N
Boiling Point:	229.8 °C at 760 mmHg
Density:	1.035 g/cm³
MDL:	MFCD00082780
LogP:	1.71050

Publication Number	Title	Priority Date
CN-113308705-A	Electrooxidation preparation method of kresoxim-methyl and trifloxystrobin intermediate	20210531
CN-111087306-A	Method for preparing organic carboxylic ester by aryl bidentate phosphine ligand combined catalysis	20191227
CN-111087306-B	Method for preparing organic carboxylic ester by aryl bidentate phosphine ligand combined catalysis	20191227
WO-2021129138-A1	Method for preparing organic carboxylic ester by means of combinatorial catalysis with aryl bidentate phosphine ligand	20191227
WO-2021123848-A1	Process for the preparation of a chiral prostaglandin enol intermediate and intermediate compounds useful in the process	20191218

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Carbonyl Compounds

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	154
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	164.083729621
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	164.083729621
Rotatable Bond Count:	3
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3