BENZYLVANILLIN

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C15H14O3
Molecular Weight	242.2699
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BENZYLVANILLIN

Structure Search

SMILES

COC1=C(OCC2=CC=CC=C2)C=CC(C=O)=C1

InChI

InChIKey=JSHLOPGSDZTEGQ-UHFFFAOYSA-N

InChI=1S/C15H14O3/c1-17-15-9-13(10-16)7-8-14(15)18-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3

HIDE SMILES / InChI

Molecular Formula	C15H14O3
Molecular Weight	242.2699
Charge	0
Count

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

Approval Year

PubMed

PubMed

Title	Date	PubMed
Microbial transformation of propenylbenzenes for natural flavour production.	2007 Dec	17988755
Alpha-phenyl-N-tert-butyl nitrone (PBN) derivatives: synthesis and protective action against microvascular damages induced by ischemia/reperfusion.	2007 May 15	17379527

Patents

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:54:19 GMT 2023` Edited by `admin` on `Fri Dec 15 18:54:19 GMT 2023`
Record UNII	5KNC2TSW9G
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

BENZYLVANILLIN

Systematic Name

English

BENZALDEHYDE, 3-METHOXY-4-(PHENYLMETHOXY)-

Systematic Name

English

NSC-22599

Code

English

NSC-44876

Code

English

4-BENZYLOXY-3-METHOXYBENZALDEHYDE

Systematic Name

English

NSC-208757

Code

English

Code System Code Type Description

PUBCHEM

75506

Created by admin on Fri Dec 15 18:54:19 GMT 2023 , Edited by admin on Fri Dec 15 18:54:19 GMT 2023

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ECHA (EC/EINECS)

219-379-0

Created by admin on Fri Dec 15 18:54:19 GMT 2023 , Edited by admin on Fri Dec 15 18:54:19 GMT 2023

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EPA CompTox

DTXSID80178958

Created by admin on Fri Dec 15 18:54:19 GMT 2023 , Edited by admin on Fri Dec 15 18:54:19 GMT 2023

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FDA UNII

5KNC2TSW9G

Created by admin on Fri Dec 15 18:54:19 GMT 2023 , Edited by admin on Fri Dec 15 18:54:19 GMT 2023

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NSC

44876

Created by admin on Fri Dec 15 18:54:19 GMT 2023 , Edited by admin on Fri Dec 15 18:54:19 GMT 2023

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NSC

208757

Created by admin on Fri Dec 15 18:54:19 GMT 2023 , Edited by admin on Fri Dec 15 18:54:19 GMT 2023

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CAS

2426-87-1

Created by admin on Fri Dec 15 18:54:19 GMT 2023 , Edited by admin on Fri Dec 15 18:54:19 GMT 2023

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NSC

22599

Created by admin on Fri Dec 15 18:54:19 GMT 2023 , Edited by admin on Fri Dec 15 18:54:19 GMT 2023

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MESH

C108289

Created by admin on Fri Dec 15 18:54:19 GMT 2023 , Edited by admin on Fri Dec 15 18:54:19 GMT 2023

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