2-ISOPROPYL-5-METHYLHEX-4-ENYL ACETATE

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C12H22O2
Molecular Weight	198.3019
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-ISOPROPYL-5-METHYLHEX-4-ENYL ACETATE

Structure Search

SMILES

CC(C)C(COC(C)=O)CC=C(C)C

InChI

InChIKey=JMTJOEMOBHPDMW-UHFFFAOYSA-N

InChI=1S/C12H22O2/c1-9(2)6-7-12(10(3)4)8-14-11(5)13/h6,10,12H,7-8H2,1-5H3

HIDE SMILES / InChI

Molecular Formula	C12H22O2
Molecular Weight	198.3019
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 21:53:52 GMT 2025` Edited by `admin` on `Mon Mar 31 21:53:52 GMT 2025`
Record UNII	N75R61RYPB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-HEXEN-1-OL, 5-METHYL-2-(1-METHYLETHYL)-, 1-ACETATE

Preferred Name

English

2-ISOPROPYL-5-METHYLHEX-4-ENYL ACETATE

Systematic Name

English

5-METHYL-2-(1-METHYLETHENYL)-4-HEXEN-1-OL ACETATE

Systematic Name

English

Code System Code Type Description

CAS

74912-37-1

Created by admin on Mon Mar 31 21:53:52 GMT 2025 , Edited by admin on Mon Mar 31 21:53:52 GMT 2025

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PUBCHEM

16205311

Created by admin on Mon Mar 31 21:53:52 GMT 2025 , Edited by admin on Mon Mar 31 21:53:52 GMT 2025

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ECHA (EC/EINECS)

278-019-0

Created by admin on Mon Mar 31 21:53:52 GMT 2025 , Edited by admin on Mon Mar 31 21:53:52 GMT 2025

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FDA UNII

N75R61RYPB

Created by admin on Mon Mar 31 21:53:52 GMT 2025 , Edited by admin on Mon Mar 31 21:53:52 GMT 2025

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EPA CompTox

DTXSID60996399

Created by admin on Mon Mar 31 21:53:52 GMT 2025 , Edited by admin on Mon Mar 31 21:53:52 GMT 2025

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