3-Methyl-3-pentenyl salicylate

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H16O3
Molecular Weight	220.2643
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 3-Methyl-3-pentenyl salicylate

Structure Search

SMILES

C\C=C(/C)CCOC(=O)C1=CC=CC=C1O

InChI

InChIKey=DUVODKYLTOFNJW-XCVCLJGOSA-N

InChI=1S/C13H16O3/c1-3-10(2)8-9-16-13(15)11-6-4-5-7-12(11)14/h3-7,14H,8-9H2,1-2H3/b10-3+

HIDE SMILES / InChI

Molecular Formula	C13H16O3
Molecular Weight	220.2643
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:51:26 GMT 2023` Edited by `admin` on `Sat Dec 16 19:51:26 GMT 2023`
Record UNII	88W9DLJ27B
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-Methyl-3-pentenyl salicylate

Common Name

English

3-Methyl-3-penten-1-yl 2-hydroxybenzoate

Common Name

English

Benzoic acid, 2-hydroxy-, 3-methyl-3-pentenyl ester

Systematic Name

English

Benzoic acid, 2-hydroxy-, 3-methyl-3-penten-1-yl ester

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID5070315

Created by admin on Sat Dec 16 19:51:26 GMT 2023 , Edited by admin on Sat Dec 16 19:51:26 GMT 2023

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CAS

65416-15-1

Created by admin on Sat Dec 16 19:51:26 GMT 2023 , Edited by admin on Sat Dec 16 19:51:26 GMT 2023

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ECHA (EC/EINECS)

265-756-8

Created by admin on Sat Dec 16 19:51:26 GMT 2023 , Edited by admin on Sat Dec 16 19:51:26 GMT 2023

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FDA UNII

88W9DLJ27B

Created by admin on Sat Dec 16 19:51:26 GMT 2023 , Edited by admin on Sat Dec 16 19:51:26 GMT 2023

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PUBCHEM

6436991

Created by admin on Sat Dec 16 19:51:26 GMT 2023 , Edited by admin on Sat Dec 16 19:51:26 GMT 2023

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