PROPAN-2-YL 2-ETHYLHEXANOATE

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C11H22O2
Molecular Weight	186.2912
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of PROPAN-2-YL 2-ETHYLHEXANOATE

Structure Search

SMILES

CCCCC(CC)C(=O)OC(C)C

InChI

InChIKey=KWJPCZGVGLPKMD-UHFFFAOYSA-N

InChI=1S/C11H22O2/c1-5-7-8-10(6-2)11(12)13-9(3)4/h9-10H,5-8H2,1-4H3

HIDE SMILES / InChI

Molecular Formula	C11H22O2
Molecular Weight	186.2912
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:01:23 GMT 2025` Edited by `admin` on `Mon Mar 31 22:01:23 GMT 2025`
Record UNII	0SL9QL3RWN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PROPAN-2-YL 2-ETHYLHEXANOATE

Systematic Name

English

J310.184C

Preferred Name

English

ISOPROPYL 2-ETHYLHEXANOATE

Systematic Name

English

HEXANOIC ACID, 2-ETHYL-, 1-METHYLETHYL ESTER

Systematic Name

English

METHYLETHYL 2-ETHYLHEXANOATE

Systematic Name

English

2-ETHYLHEXANOIC ACID 1-METHYLETHYL ESTER

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

266-549-5

Created by admin on Mon Mar 31 22:01:23 GMT 2025 , Edited by admin on Mon Mar 31 22:01:23 GMT 2025

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FDA UNII

0SL9QL3RWN

Created by admin on Mon Mar 31 22:01:23 GMT 2025 , Edited by admin on Mon Mar 31 22:01:23 GMT 2025

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CAS

67024-46-8

Created by admin on Mon Mar 31 22:01:23 GMT 2025 , Edited by admin on Mon Mar 31 22:01:23 GMT 2025

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PUBCHEM

106701

Created by admin on Mon Mar 31 22:01:23 GMT 2025 , Edited by admin on Mon Mar 31 22:01:23 GMT 2025

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EPA CompTox

DTXSID2044973

Created by admin on Mon Mar 31 22:01:23 GMT 2025 , Edited by admin on Mon Mar 31 22:01:23 GMT 2025

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