Vanillin

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H8O3
Molecular Weight	152.1473
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Vanillin

Structure Search

SMILES

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

InChI

InChIKey=MWOOGOJBHIARFG-UHFFFAOYSA-N

InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3

HIDE SMILES / InChI

Molecular Formula	C8H8O3
Molecular Weight	152.1473
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 19:04:14 UTC 2023` Edited by `admin` on `Sat Dec 16 19:04:14 UTC 2023`
Record UNII	CHI530446X
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

Vanillin

Official Name

English

VANILLALDEHYDE

Systematic Name

English

VANILLIN [MART.]

Common Name

English

4-HYDROXY-3-METHOXY-BENZYLDEHYDE

Common Name

English

NSC-403658

Code

English

VANILLIN, NATURAL [FHFI]

Common Name

English

FEMA NO. 3107

Code

English

METHYLPROTOCATECHUIC ALDEHYDE

Common Name

English

BENZALDEHYDE, 4-HYDROXY-3-METHOXY-

Systematic Name

English

VANILLIN [HSDB]

Common Name

English

VANILLIN [VANDF]

Common Name

English

VANILLIN [EP MONOGRAPH]

Common Name

English

NPLC-0145

Code

English

VANILLIN MELTING POINT STANDARD

Common Name

English

NSC-48383

Code

English

NSC-15351

Code

English

H-0264

Code

English

VANILLIN [FCC]

Common Name

English

VANILLIN [MI]

Common Name

English

VANILLIC ALDEHYDE

Common Name

English

VANILLIN [FHFI]

Common Name

English

4-HYDROXY-M-ANISALDEHYDE

Systematic Name

English

4-HYDROXY-3-METHOXYBENZALDEHYDE

Systematic Name

English

Vanillin [WHO-DD]

Common Name

English

VANILLIN [INCI]

Common Name

English

LIOXIN

Brand Name

English

RHOVANIL

Common Name

English

VANILLIN [USP-RS]

Common Name

English

P-HYDROXY-M-METHOXYBENZALDEHYDE

Common Name

English

VANILLIN [II]

Common Name

English

3-METHOXY-4-HYDROXYBENZALDEHYDE

Systematic Name

English

Classification Tree Code System Code

EPA PESTICIDE CODE

115801

Created by admin on Sat Dec 16 19:04:14 UTC 2023 , Edited by admin on Sat Dec 16 19:04:14 UTC 2023

EC SCIENTIFIC COMMITTEE ON CONSUMER SAFETY OPINION

SCCS/1459/11

Created by admin on Sat Dec 16 19:04:14 UTC 2023 , Edited by admin on Sat Dec 16 19:04:14 UTC 2023

JECFA EVALUATION

VANILLIN

Created by admin on Sat Dec 16 19:04:14 UTC 2023 , Edited by admin on Sat Dec 16 19:04:14 UTC 2023

Code System Code Type Description

EPA CompTox

DTXSID0021969

Created by admin on Sat Dec 16 19:04:14 UTC 2023 , Edited by admin on Sat Dec 16 19:04:14 UTC 2023

PRIMARY

NCI_THESAURUS

C45678

Created by admin on Sat Dec 16 19:04:14 UTC 2023 , Edited by admin on Sat Dec 16 19:04:14 UTC 2023

CONCEPT

Industrial Aid

MERCK INDEX

m11390

Created by admin on Sat Dec 16 19:04:14 UTC 2023 , Edited by admin on Sat Dec 16 19:04:14 UTC 2023

PRIMARY

Merck Index

RS_ITEM_NUM

1711009

Created by admin on Sat Dec 16 19:04:14 UTC 2023 , Edited by admin on Sat Dec 16 19:04:14 UTC 2023

ALTERNATIVE

JECFA MONOGRAPH

819

Created by admin on Sat Dec 16 19:04:14 UTC 2023 , Edited by admin on Sat Dec 16 19:04:14 UTC 2023

PRIMARY

SMS_ID

100000076965

Created by admin on Sat Dec 16 19:04:14 UTC 2023 , Edited by admin on Sat Dec 16 19:04:14 UTC 2023

PRIMARY

HSDB

1027

Created by admin on Sat Dec 16 19:04:14 UTC 2023 , Edited by admin on Sat Dec 16 19:04:14 UTC 2023

PRIMARY

EVMPD

SUB15686MIG

Created by admin on Sat Dec 16 19:04:14 UTC 2023 , Edited by admin on Sat Dec 16 19:04:14 UTC 2023

PRIMARY

MESH

C100058

Created by admin on Sat Dec 16 19:04:14 UTC 2023 , Edited by admin on Sat Dec 16 19:04:14 UTC 2023

PRIMARY

NSC

403658

Created by admin on Sat Dec 16 19:04:14 UTC 2023 , Edited by admin on Sat Dec 16 19:04:14 UTC 2023

PRIMARY

DAILYMED

CHI530446X

Created by admin on Sat Dec 16 19:04:14 UTC 2023 , Edited by admin on Sat Dec 16 19:04:14 UTC 2023

PRIMARY

NSC

48383

Created by admin on Sat Dec 16 19:04:14 UTC 2023 , Edited by admin on Sat Dec 16 19:04:14 UTC 2023

PRIMARY

FDA UNII

CHI530446X

Created by admin on Sat Dec 16 19:04:14 UTC 2023 , Edited by admin on Sat Dec 16 19:04:14 UTC 2023

PRIMARY

CAS

121-33-5

Created by admin on Sat Dec 16 19:04:14 UTC 2023 , Edited by admin on Sat Dec 16 19:04:14 UTC 2023

PRIMARY

RS_ITEM_NUM

1710006

Created by admin on Sat Dec 16 19:04:14 UTC 2023 , Edited by admin on Sat Dec 16 19:04:14 UTC 2023

PRIMARY

RXCUI

1368176

Created by admin on Sat Dec 16 19:04:14 UTC 2023 , Edited by admin on Sat Dec 16 19:04:14 UTC 2023

PRIMARY

RxNorm

NSC

15351

Created by admin on Sat Dec 16 19:04:14 UTC 2023 , Edited by admin on Sat Dec 16 19:04:14 UTC 2023

PRIMARY

PUBCHEM

1183

Created by admin on Sat Dec 16 19:04:14 UTC 2023 , Edited by admin on Sat Dec 16 19:04:14 UTC 2023

PRIMARY

ECHA (EC/EINECS)

204-465-2

Created by admin on Sat Dec 16 19:04:14 UTC 2023 , Edited by admin on Sat Dec 16 19:04:14 UTC 2023

PRIMARY

WIKIPEDIA

VANILLIN

Created by admin on Sat Dec 16 19:04:14 UTC 2023 , Edited by admin on Sat Dec 16 19:04:14 UTC 2023

PRIMARY

NCI_THESAURUS

C76737

Created by admin on Sat Dec 16 19:04:14 UTC 2023 , Edited by admin on Sat Dec 16 19:04:14 UTC 2023

PRIMARY

ChEMBL

CHEMBL13883

Created by admin on Sat Dec 16 19:04:14 UTC 2023 , Edited by admin on Sat Dec 16 19:04:14 UTC 2023

PRIMARY

CHEBI

18346

Created by admin on Sat Dec 16 19:04:14 UTC 2023 , Edited by admin on Sat Dec 16 19:04:14 UTC 2023

PRIMARY

Related Record Type Details


					S07O44R1ZM

CAPSAICIN

PARENT -> METABOLITE

Interaction Type:

MINOR

Qualification:

PLASMA

Amount: