3-Cyclohexylpropyl butyrate

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H24O2
Molecular Weight	212.3285
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-Cyclohexylpropyl butyrate

Structure Search

SMILES

CCCC(=O)OCCCC1CCCCC1

InChI

InChIKey=VHCFMFPGCLEABB-UHFFFAOYSA-N

InChI=1S/C13H24O2/c1-2-7-13(14)15-11-6-10-12-8-4-3-5-9-12/h12H,2-11H2,1H3

HIDE SMILES / InChI

Molecular Formula	C13H24O2
Molecular Weight	212.3285
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:29:30 GMT 2023` Edited by `admin` on `Sat Dec 16 12:29:30 GMT 2023`
Record UNII	T6VTX4RZT7
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

3-Cyclohexylpropyl butyrate

Systematic Name

English

3-Cyclohexylpropyl butanoate

Systematic Name

English

Butanoic acid, 3-cyclohexylpropyl ester

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

303-490-7

Created by admin on Sat Dec 16 12:29:30 GMT 2023 , Edited by admin on Sat Dec 16 12:29:30 GMT 2023

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FDA UNII

T6VTX4RZT7

Created by admin on Sat Dec 16 12:29:30 GMT 2023 , Edited by admin on Sat Dec 16 12:29:30 GMT 2023

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EPA CompTox

DTXSID10240975

Created by admin on Sat Dec 16 12:29:30 GMT 2023 , Edited by admin on Sat Dec 16 12:29:30 GMT 2023

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PUBCHEM

3023951

Created by admin on Sat Dec 16 12:29:30 GMT 2023 , Edited by admin on Sat Dec 16 12:29:30 GMT 2023

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CAS

94200-13-2

Created by admin on Sat Dec 16 12:29:30 GMT 2023 , Edited by admin on Sat Dec 16 12:29:30 GMT 2023

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