Methyl 2,6-Dimethylbenzoate - CAS 14920-81-1

Catalog:	BB010384
Product Name:	Methyl 2,6-Dimethylbenzoate
CAS:	14920-81-1
Synonyms:	2,6-dimethylbenzoic acid methyl ester; methyl 2,6-dimethylbenzoate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 2,6-dimethylbenzoate
Description:	Methyl 2,6-Dimethylbenzoate (CAS# 14920-81-1) is a useful research chemical.
Molecular Weight:	164.20
Molecular Formula:	C10H12O2
Canonical SMILES:	CC1=C(C(=CC=C1)C)C(=O)OC
InChI:	InChI=1S/C10H12O2/c1-7-5-4-6-8(2)9(7)10(11)12-3/h4-6H,1-3H3
InChI Key:	XJMULMWDHLJUKP-UHFFFAOYSA-N
Boiling Point:	215.7 °C at 760 mmHg
Density:	1.027 g/cm³
Appearance:	Liquid
LogP:	2.09000

Publication Number	Title	Priority Date
WO-2021205298-A1	Compounds and methods for the treatment of covid-19	20200405
CN-111792990-A	Unsaturated ketone compound, preparation method and application thereof	20190409
US-2020355673-A1	Chemical probe-dependent evaluation of protein activity and uses thereof	20171122
AU-2018336656-A1	Small-molecule organic dyes	20170829
CA-3074344-A1	Small-molecule organic dyes	20170829

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]
DBCO-PEG4-NHS ester
[17746-05-3]
Undecanoyl chloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	155
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:	2
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6