HEXYL 2-METHYL-3-PENTENOATE, (3E)-

Details

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

SHOW SMILES / InChI

Structure of HEXYL 2-METHYL-3-PENTENOATE, (3E)-

Structure Search

SMILES

CCCCCCOC(=O)C(C)\C=C\C

InChI

InChIKey=BSKRYZBCMPUFRS-WEVVVXLNSA-N

InChI=1S/C12H22O2/c1-4-6-7-8-10-14-12(13)11(3)9-5-2/h5,9,11H,4,6-8,10H2,1-3H3/b9-5+

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	1
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:51:32 GMT 2025` Edited by `admin` on `Mon Mar 31 19:51:32 GMT 2025`
Record UNII	6ZQ9AGD3IS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FEMA NO. 3693, (3E)-PENTENOATE-

Preferred Name

English

HEXYL 2-METHYL-3-PENTENOATE, (3E)-

Systematic Name

English

3-PENTENOIC ACID, 2-METHYL-, HEXYL ESTER, (3E)-

Common Name

English

HEXYL (E)-2-METHYL-3-PENTENOATE, (±)-

Systematic Name

English

HEXYL 2-METHYL-3-PENTENOATE, TRANS-

Systematic Name

English

HEXYL 2-METHYL-3-PENTENOATE

Systematic Name

English

HEXYL 2-METHYL-3-PENTENOATE, (E)-

Systematic Name

English

3-PENTENOIC ACID, 2-METHYL-, HEXYL ESTER, (E)-

Common Name

English

HEXYL-2-METHYL-3-PENTENOATE

Systematic Name

English

(±)-HEXYL (E)-2-METHYL-3-PENTENOATE

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID101301436

Created by admin on Mon Mar 31 19:51:32 GMT 2025 , Edited by admin on Mon Mar 31 19:51:32 GMT 2025

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CAS

58625-95-9

Created by admin on Mon Mar 31 19:51:32 GMT 2025 , Edited by admin on Mon Mar 31 19:51:32 GMT 2025

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FDA UNII

6ZQ9AGD3IS

Created by admin on Mon Mar 31 19:51:32 GMT 2025 , Edited by admin on Mon Mar 31 19:51:32 GMT 2025

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PUBCHEM

6366072

Created by admin on Mon Mar 31 19:51:32 GMT 2025 , Edited by admin on Mon Mar 31 19:51:32 GMT 2025

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