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Home > Encyclopedia > Ethyl 4-(1,1-dimethylethyl)benzoate

Ethyl 4-(1,1-dimethylethyl)benzoate

Ethyl 4-(1,1-dimethylethyl)benzoate structure

Ethyl 4-(1,1-dimethylethyl)benzoate 

structure
  • CAS No:

    5406-57-5

  • Formula:

    C13H18O2

  • Chemical Name:

    Ethyl 4-(1,1-dimethylethyl)benzoate

  • Synonyms:

    Benzoic acid,4-(1,1-dimethylethyl)-,ethyl ester;Benzoic acid,p-tert-butyl-,ethyl ester;Ethyl 4-(1,1-dimethylethyl)benzoate;Ethyl 4-tert-butylbenzoate;Ethyl p-tert-butylbenzoate;NSC 7038;4-t-Butylbenzoic acid ethyl ester

Description

ChEBI: A benzoate ester obtained by the formal condensation of 4-tert-butylbenzoic acid with ethanol.


Ethyl 4-tert-butylbenzoate is a benzoate ester obtained by the formal condensation of 4-tert-butylbenzoic acid with ethanol. It has a role as a metabolite.

Ethyl 4-(1,1-dimethylethyl)benzoate Basic Attributes

206.28100

206.28

226-465-1

7038

2916399090

Characteristics

26.30000

3.16080

0.979g/cm3

120.0-120.5 °C @ Press: 4 Torr

122.9ºC

1.491

Safety Information

36/37/38

26-36/37/39

Computed Properties

Molecular Weight:206.28
XLogP3:4.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:206.130679813
Monoisotopic Mass:206.130679813
Topological Polar Surface Area:26.3
Heavy Atom Count:15
Complexity:207
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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