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Benzoicacid,3-methyl-,(2-methylpropyl)ester

Benzoicacid,3-methyl-,(2-methylpropyl)ester structure

CAS No:
6640-78-4
Formula:
C12H16O2
Chemical Name:
Benzoicacid,3-methyl-,(2-methylpropyl)ester
Synonyms:
2-methylpropyl 3-methylbenzoate;m-Toluic acid,2-methylpropyl ester;Benzoic acid, 3-methyl-, (2-methylpropyl) ester;m-Toluic acid, 2-methylpropyl ester;Benzoic acid,3-methyl, (2-methylpropyl)ester;NSC17902;Isobutyl 3-methylbenzoate #;SCHEMBL6057072;CTK8J9198;DTXSID80216627

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Benzoicacid,3-methyl-,(2-methylpropyl)ester Basic Attributes

Molecular Weight：

192.258

Exact Mass：

192.115

NSC Number：

17902

DSSTox ID：

DTXSID80216627

Characteristics

PSA：

26.3

XLogP3：

4.1

Density：

0.993±0.06 g/cm3(Predicted)

Boiling Point：

265.2ºC at 760 mmHg

Flash Point：

116.7ºC

Refractive Index：

1.497

Computed Properties

Molecular Weight:192.25
XLogP3:4.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:192.115029749
Monoisotopic Mass:192.115029749
Topological Polar Surface Area:26.3
Heavy Atom Count:14
Complexity:187
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: methyl acetate; hexanoate; calcium iodide; 2 pentanol; thiamine pyrophosphate; catechol

Guide of Benzoicacid,3-methyl-,(2-methylpropyl)ester

Basic Attributes
Characteristics
Computed Properties

Benzoicacid,3-methyl-,(2-methylpropyl)ester

SDS

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