PDND
Phytochemical Database for Neurological Disorders
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Phytochemical Name : Vanillin
PCNDIDV0006
Pubchem CID : 1183
Molecular formula: C8H8O3

Molecular weight : 152.150

Canonical SMILES : COC1=C(C=CC(=C1)C=O)O

Synonymes : vanillin|4-Hydroxy-3-methoxybenzaldehyde|121-33-5|Vanillaldehyde|Vanillic aldehyde|p-Vanillin|Lioxin|Vanilline|Vanilla|3-Methoxy-4-hydroxybenzaldehyde|4-Hydroxy-m-anisaldehyde|2-Methoxy-4-formylphenol|Zimco|Benzaldehyde, 4-hydroxy-3-methoxy-|p-Hydroxy-m-methoxybenzaldehyde|4-Hydroxy-3-methoxy-benzaldehyde|Methylprotocatechuic aldehyde|4-Formyl-2-methoxyphenol|Vanilin|Vanillin (natural)|4-Hydroxy-5-methoxybenzaldehyde|m-Anisaldehyde, 4-hydroxy-|Protocatechualdehyde, methyl-|FEMA No. 3107|vaniline|Rhovanil|Protocatechualdehyde 3-methyl ether|Vanillin (NF)|Vanillin [USAN]|NSC 15351|m-Methoxy-p-hydroxybenzaldehyde|CCRIS 2687|Vanillin Melting Point Standard|HSDB 1027|Oleoresin vanilla|Vanilla oleoresin|Vanillin, natural|EINECS 204-465-2|NSC-15351|NSC-48383|Vanillin [NF]|NSC-403658|UNII-CHI530446X|BRN 0472792|CHEBI:18346|4-hydroxy-3-methoxy-benzyldehyde|AI3-00093|NPLC-0145|CHI530446X|MFCD00006942|CHEMBL13883|DTXSID0021969|VANILLIN (METHOXY-13C)|3-methoxy-4-hydroxy-benzaldehyde|EC 204-465-2|H-0264|4-08-00-01763 (Beilstein Handbook Reference)|NSC15351|4-HYDROXY,3-METHOXY-BENZALDEHYDE|NCGC00091645-03|4-hydroxy-3-methoxybenzaldehyde (vanillin)|86884-84-6|VANILLIN (II)|VANILLIN [II]|VANILLIN (MART.)|VANILLIN [MART.]|WLN: VHR DQ CO1|DTXCID301969|VANILLIN (EP MONOGRAPH)|VANILLIN [EP MONOGRAPH]|MFCD08702848|CAS-121-33-5|Nat.Vanillin|oleo-Resins vanilla|V55|Vanillin sodium salt|VANILLIN CRYSTAL|VANILLIN [FHFI]|VANILLIN [HSDB]|VANILLIN [INCI]|FEMA Number 3107|oleo-Resins vanilla-bean|Resins, oleo-, vanilla|VANILLIN [FCC]|4-Hydroxy-3-methoxybenzaldehyde(Vanilline)|VANILLIN [MI]|VANILLIN [VANDF]|methyl-Protocatechualdehyde|bmse000343|bmse000597|bmse010006|D0B5YS|Methylprotcatechuic aldehyde|VANILLIN [USP-RS]|VANILLIN [WHO-DD]|SCHEMBL1213|Resins, oleo-, vanilla-bean|MLS002303069|BIDD:ER0330|Vanillin, puriss., 99.5%|GTPL6412|SGCUT00016|4-hydroxy 3-methoxybenzaldehyde|METHYLPROTOCATECHUALDEHYDE|FEMA 3107|Vanilla oleoresin (vanilla SPP)|3-methoxy-4-hydroxy benzaldehyde|4-hydroxy-3-methoxy benzaldehyde|VANILLIN, NATURAL [FHFI]|3-methoxy-4-hydroxy benzoaldehyde|Vanillin, ReagentPlus(R), 99%|4-hydroxy-3-(methoxy)benzaldehyde|HMS3651D20|HMS3885K07|Vanillin, >=97%, FCC, FG|4-hydoxy-3-(methyloxy)benzaldehyde|BCP29943|Benzaldehido, 4-hidroxi-3-metoxi-|HY-N0098|NSC48383|STR01001|to_000089|Tox21_113534|Tox21_201925|Tox21_300352|4-hydoxy-3-(methyloxy)benz aldehyde|BBL011956|BDBM50177405|LS-645|METHYL PROTOCATECHUIC ALDEHYDE|NSC403658|s3071|STK199262|AKOS000118929|Tox21_113534_1|CCG-266230|CS-O-11767|CS-W020052|LS-2459|Vanillin, tested according to Ph.Eur.|NCGC00091645-01|NCGC00091645-02|NCGC00091645-04|NCGC00091645-05|NCGC00091645-07|NCGC00254468-01|NCGC00259474-01|Vanillin, natural, >=97%, FCC, FG|AC-10370|BP-10602|NCI60_001085|SMR000156285|SY224451|Vanillin 1000 microg/mL in Acetonitrile|Vanillin, JIS special grade, >=98.0%|Vanillin, Vetec(TM) reagent grade, 98%|VANILLA, OLEORESIN (VANILLA SPP.)|3-Methoxy-4-hydroxybenzaldehyde (vanillin)|AM20060497|FT-0618639|FT-0669738|FT-0675778|H0264|SW219190-1|V0080|EN300-18281|vanillin (3-methoxy-4-hydroxy- benzaldehyde)|A19444|C00755|D00091|Q33495|Vanillin (83 degrees C) Melting Point Standard|4-hydroxy-3-methoxy-Benzaldehyde-5-chlorovanillin|4-hydroxy-3-methoxybenzaldehyde (ACD/Name 4.0)|AC-907/21098004|Q-100102|Vanillin, TraceCERT(R), certified reference material|Z57772449|F2190-0587|Vanillin, European Pharmacopoeia (EP) Reference Standard|1-(AMINOMETHYL)-CYCLOPROPANECARBOXYLICACIDETHYLESTER|Mettler-Toledo Calibration substance ME 51143093, Vanillin|Vanillin, United States Pharmacopeia (USP) Reference Standard|NSC 15351;NSC-15351; NSC15351 pound>>4-Hydroxy-3-methoxybenzaldehyde|Vanillin, Pharmaceutical Secondary Standard; Certified Reference Material|Vanillin Melting Point Standard, United States Pharmacopeia (USP) Reference Standard|Mettler-Toledo Calibration substance ME 51143093, Vanillin, traceable to primary standards (LGC)|Vanillin melting point standard, Pharmaceutical Secondary Standard; Certified Reference Material

Structure
3D structure 2D structure
1183
Predicted properties (NCBI Pubchem)

Physicochemical Properties