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Benzoic acid, 3,4-dimethyl-, methyl ester

Benzoic acid, 3,4-dimethyl-, methyl ester structure

CAS No:
38404-42-1
Formula:
C10H12O2
Chemical Name:
Benzoic acid, 3,4-dimethyl-, methyl ester
Synonyms:
Benzoic acid,3,4-dimethyl-,methyl ester;Methyl 3,4-dimethylbenzoate
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Benzoic acid, 3,4-dimethyl-, methyl ester Basic Attributes

Molecular Weight：

164.2

Exact Mass：

164.20

EC Number：

919-860-1

DSSTox ID：

DTXSID10334489

HScode：

2916399090

Characteristics

PSA：

26.30000

XLogP3：

2.09000

Density：

1.027g/cm3

Melting Point：

35-37℃

Boiling Point：

129 °C0.2 mm Hg(lit.)

Flash Point：

108.4ºC

Refractive Index：

1.508

Water Solubility：

Insoluble in water.

Safety Information

hazard class code：

36/37/38

safety instructions：

26-37

Marks：

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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:164.20
XLogP3:3.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:164.083729621
Monoisotopic Mass:164.083729621
Topological Polar Surface Area:26.3
Heavy Atom Count:12
Complexity:165
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Methyl 3,4-dimethylbenzoate

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Guide of Benzoic acid, 3,4-dimethyl-, methyl ester

Basic Attributes
Characteristics
Safety Information
Computed Properties
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