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Ethyl 3-methylbenzoate

Ethyl 3-methylbenzoate structure

CAS No:
120-33-2
Formula:
C10H12O2
Chemical Name:
Ethyl 3-methylbenzoate
Synonyms:
Benzoic acid,3-methyl-,ethyl ester;m-Toluic acid,ethyl ester;Ethyl 3-methylbenzoate;Ethyl m-toluate;Ethyl m-methylbenzoate;3-Methylbenzoic acid ethyl ester;NSC 20009
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Ethyl 3-methylbenzoate Basic Attributes

Molecular Weight：

164.2

Exact Mass：

164.20

BRN：

1863739

EC Number：

204-386-3

NSC Number：

20009

DSSTox ID：

DTXSID70152641

HScode：

2916399090

Characteristics

PSA：

26.3

XLogP3：

3.19

Appearance：

clear colorless to pale yellow liquid

Density：

1.0±0.1 g/cm3

Boiling Point：

234 °C

Flash Point：

101 °C

Refractive Index：

1.505

Vapor Pressure：

0.0524mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

hazard class code：

36/37/38

safety instructions：

24/25-36-26

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Ethyl 3-methylbenzoate Use and Manufacturing

Used as medicine, pesticide, dye intermediate

Computed Properties

Molecular Weight:164.20
XLogP3:3.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:164.083729621
Monoisotopic Mass:164.083729621
Topological Polar Surface Area:26.3
Heavy Atom Count:12
Complexity:154
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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