Butyl vanillate

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H16O4
Molecular Weight	224.253
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Butyl vanillate

Structure Search

SMILES

CCCCOC(=O)C1=CC(OC)=C(O)C=C1

InChI

InChIKey=TUOSEEPBHUCCAO-UHFFFAOYSA-N

InChI=1S/C12H16O4/c1-3-4-7-16-12(14)9-5-6-10(13)11(8-9)15-2/h5-6,8,13H,3-4,7H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C12H16O4
Molecular Weight	224.253
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 `Sat Dec 16 12:31:22 GMT 2023` Edited by `admin` on `Sat Dec 16 12:31:22 GMT 2023`
Record UNII	6X7PR66YRR
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

Butyl vanillate

Systematic Name

English

3-Methoxy-4-hydroxybenzoic acid butyl ester

Systematic Name

English

Benzoic acid, 4-hydroxy-3-methoxy-, butyl ester

Systematic Name

English

NSC-1331

Code

English

Butyl 4-hydroxy-3-methoxybenzoate

Systematic Name

English

4-Hydroxy-3-methoxybenzoic acid butyl ester

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID30201664

Created by admin on Sat Dec 16 12:31:22 GMT 2023 , Edited by admin on Sat Dec 16 12:31:22 GMT 2023

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ECHA (EC/EINECS)

226-307-1

Created by admin on Sat Dec 16 12:31:22 GMT 2023 , Edited by admin on Sat Dec 16 12:31:22 GMT 2023

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NSC

1331

Created by admin on Sat Dec 16 12:31:22 GMT 2023 , Edited by admin on Sat Dec 16 12:31:22 GMT 2023

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PUBCHEM

79298

Created by admin on Sat Dec 16 12:31:22 GMT 2023 , Edited by admin on Sat Dec 16 12:31:22 GMT 2023

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CAS

5348-74-3

Created by admin on Sat Dec 16 12:31:22 GMT 2023 , Edited by admin on Sat Dec 16 12:31:22 GMT 2023

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FDA UNII

6X7PR66YRR

Created by admin on Sat Dec 16 12:31:22 GMT 2023 , Edited by admin on Sat Dec 16 12:31:22 GMT 2023

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