Pentyl 3-methyl-2-butenoate

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H18O2
Molecular Weight	170.2487
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Pentyl 3-methyl-2-butenoate

Structure Search

SMILES

CCCCCOC(=O)C=C(C)C

InChI

InChIKey=NMUKAHSPJUKENF-UHFFFAOYSA-N

InChI=1S/C10H18O2/c1-4-5-6-7-12-10(11)8-9(2)3/h8H,4-7H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C10H18O2
Molecular Weight	170.2487
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 `Tue Apr 01 17:12:05 GMT 2025` Edited by `admin` on `Tue Apr 01 17:12:05 GMT 2025`
Record UNII	S6VYN39TVE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-61854

Preferred Name

English

Pentyl 3-methyl-2-butenoate

Systematic Name

English

2-Butenoic acid, 3-methyl-, pentyl ester

Systematic Name

English

Amyl ?,?-dimethylacrylate

Systematic Name

English

Code System Code Type Description

NSC

61854

Created by admin on Tue Apr 01 17:12:05 GMT 2025 , Edited by admin on Tue Apr 01 17:12:05 GMT 2025

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CAS

56922-72-6

Created by admin on Tue Apr 01 17:12:05 GMT 2025 , Edited by admin on Tue Apr 01 17:12:05 GMT 2025

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PUBCHEM

92569

Created by admin on Tue Apr 01 17:12:05 GMT 2025 , Edited by admin on Tue Apr 01 17:12:05 GMT 2025

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FDA UNII

S6VYN39TVE

Created by admin on Tue Apr 01 17:12:05 GMT 2025 , Edited by admin on Tue Apr 01 17:12:05 GMT 2025

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ECHA (EC/EINECS)

260-436-4

Created by admin on Tue Apr 01 17:12:05 GMT 2025 , Edited by admin on Tue Apr 01 17:12:05 GMT 2025

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EPA CompTox

DTXSID00205472

Created by admin on Tue Apr 01 17:12:05 GMT 2025 , Edited by admin on Tue Apr 01 17:12:05 GMT 2025

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