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ethyl 2-benzoyl-3-methylbutanoate

ethyl 2-benzoyl-3-methylbutanoate structure

CAS No:
25491-47-8
Formula:
C14H18O3
Chemical Name:
ethyl 2-benzoyl-3-methylbutanoate
Synonyms:
2-Benzoyl-3-methyl-buttersaeure-aethylester; 2-benzoyl-3-methyl-butyric acid ethyl ester; Isoproyl-benzoylessigsaeure-aethylester;

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ethyl 2-benzoyl-3-methylbutanoate Basic Attributes

Molecular Weight：

234.29100

Exact Mass：

234.125594432 g/mol

NSC Number：

78918

DSSTox ID：

DTXSID10291886

Characteristics

PSA：

43.37000

XLogP3：

2.70460

Density：

1.044g/cm3

Boiling Point：

307.6ºC at 760 mmHg

Flash Point：

130.6ºC

Refractive Index：

1.498

Vapor Pressure：

0.000719mmHg at 25°C

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:234.29
XLogP3:3.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:234.125594432
Monoisotopic Mass:234.125594432
Topological Polar Surface Area:43.4
Heavy Atom Count:17
Complexity:265
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl 2-benzoyl-3-methylbutanoate

Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

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