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| CAS Number | 121-33-5 |
| Catalog Number | AG0037X4(AGN-PC-0084T7) |
| Chemical Name | Vanillin |
| EC Number | 204-465-2 |
| FEMA Number | 3107 |
| IUPAC Name | 4-hydroxy-3-methoxybenzaldehyde |
| InChI | InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3 |
| InChI Key | MWOOGOJBHIARFG-UHFFFAOYSA-N |
| MDL Number | MFCD00006942 |
| Molecular Formula | C8H8O3 |
| Molecular Weight | 152.1473 |
| RTECS Number | YW5775000 |
| SMILES | O=CC1=CC(OC)=C(O)C=C1 |
| UNII | CHI530446X |
| Synonyms | 4-hydroxy-3-methoxybenzaldehyde,
5-bromovanillin,
5-chlorovanillin,
vanillaldehyde,
vanillin,
vanillin, sodium salt,
vanillin,
4-Hydroxy-3-methoxybenzaldehyde,
121-33-5,
Vanillaldehyde,
Vanillic aldehyde,
p-Vanillin,
Vanilla,
Lioxin,
2-Methoxy-4-formylphenol,
Vanilline,
4-Hydroxy-m-anisaldehyde,
3-Methoxy-4-hydroxybenzaldehyde,
Zimco,
Benzaldehyde, 4-hydroxy-3-methoxy-,
4-Hydroxy-3-methoxy-benzaldehyde,
p-Hydroxy-m-methoxybenzaldehyde,
Vanilin,
4-Formyl-2-methoxyphenol,
Methylprotocatechuic aldehyde,
Vanillin (natural),
4-Hydroxy-5-methoxybenzaldehyde,
m-Anisaldehyde, 4-hydroxy-,
Protocatechualdehyde, methyl-,
Vanillin (NF),
Vanillin [USAN],
Protocatechualdehyde 3-methyl ether,
vaniline,
Vanillinum,
Oleoresin vanilla,
Vanilla oleoresin,
NSC 15351,
Vanillin [NF],
UNII-CHI530446X,
FEMA No. 3107,
CCRIS 2687,
HSDB 1027,
EINECS 204-465-2,
MFCD00006942,
BRN 0472792,
CHEMBL13883,
AI3-00093,
m-Methoxy-p-hydroxybenzaldehyde,
CHEBI:18346,
MWOOGOJBHIARFG-UHFFFAOYSA-N,
CHI530446X,
4-HYDROXY,3-METHOXY-BENZALDEHYDE,
NCGC00091645-03,
Vanillin, 99%, pure,
4-hydroxy-3-methoxybenzaldehyde (vanillin),
DSSTox_CID_1969,
WLN: VHR DQ CO1,
DSSTox_RID_76433,
DSSTox_GSID_21969,
CAS-121-33-5,
4-Hydroxy-3-(methoxy-D3)benzaldehyde,
Nat.Vanillin,
3-methoxy-4-hydroxy-benzaldehyde,
Vanillinisobutyrate,
oleo-Resins vanilla,
V55,
Vanillin sodium salt,
ACMC-1BURM,
oleo-Resins vanilla-bean,
Resins, oleo-, vanilla,
AC1L1AWT,
methyl-Protocatechualdehyde,
bmse000343,
bmse000597,
bmse010006,
Methylprotcatechuic aldehyde,
EC 204-465-2,
AC1Q46AX,
AC1Q46AY,
SCHEMBL1213,
Resins, oleo-, vanilla-bean,
4-08-00-01763 (Beilstein Handbook Reference),
KSC174M1D,
MLS002303069,
BIDD:ER0330,
Vanillin, puriss., 99.5%,
GTPL6412,
SGCUT00016,
4-hydroxy 3-methoxybenzaldehyde,
DTXSID0021969,
CTK0H4611,
FEMA 3107,
Vanilla oleoresin (vanilla SPP),
3-methoxy-4-hydroxy benzaldehyde,
4-hydroxy-3-methoxy benzaldehyde,
3-methoxy-4-hydroxy benzoaldehyde,
Vanillin, ReagentPlus(R), 99%,
4-hydroxy-3-(methoxy)benzaldehyde,
HMS3651D20,
Vanillin, >=97%, FCC, FG,
4-hydoxy-3-(methyloxy)benzaldehyde,
HY-N0098,
KS-000000NC,
NSC15351,
NSC48383,
to_000089,
ZINC2567933,
Tox21_113534,
Tox21_201925,
Tox21_300352,
4-hydoxy-3-(methyloxy)benz aldehyde,
ANW-17588,
BBL011956,
BDBM50177405,
LS-645,
NSC-15351,
NSC-48383,
NSC403658,
s3071,
SBB000108,
STK199262,
AKOS000118929,
Tox21_113534_1,
CS-W020052,
LS-2459,
MCULE-1294709490,
MP-2189,
NSC-403658,
RP21590,
RTR-003490,
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,
AJ-41510,
AK-32997,
AN-22843,
AT-15565,
BP-10602,
BR-32997,
CJ-09814,
NCI60_001085,
SC-19021,
SMR000156285,
ST052001,
SY224451,
Vanillin, JIS special grade, >=98.0%,
Vanillin, Vetec(TM) reagent grade, 98%,
VANILLA, OLEORESIN (VANILLA SPP.),
3-Methoxy-4-hydroxybenzaldehyde (vanillin),
AB1002192,
DB-003805,
ST2411457,
TR-003490,
AM20060497,
FT-0618639,
SW219190-1,
MFCD08702848 (98%),
Unavailable - See ASDI_CatNo 500011369,
vanillin (3-methoxy-4-hydroxy- benzaldehyde),
3450-EP2287158A1,
3450-EP2295424A1,
3450-EP2295426A1,
3450-EP2295427A1,
3450-EP2301934A1,
3450-EP2311821A1,
3450-EP2311824A1,
3450-EP2316831A1,
3450-EP2374783A1,
3450-EP2377841A1,
A19444,
C00755,
D00091,
132287-EP2284157A1,
132287-EP2295418A1,
4-hydroxy-3-methoxy-Benzaldehyde-5-chlorovanillin,
4-hydroxy-3-methoxybenzaldehyde (ACD/Name 4.0),
AC-907/21098004,
I01-5977,
Q-100102,
Vanillin, TraceCERT(R), certified reference material,
F2190-0587,
Vanillin, European Pharmacopoeia (EP) Reference Standard,
Vanillin, United States Pharmacopeia (USP) Reference Standard,
Vanillin, Pharmaceutical Secondary Standard; Certified Reference Material,
InChI=1/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H,
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,
Propenylguaethol,
Methyl vanillin,
5-Chlorovanillin,
vanillin, sodium salt,
VANILLIN CRYSTAL,
5-BROMOVANILLIN,
D0B5YS,
Vanillin, 99% 100g,
C8H8O3,
CID1183,
Benzaldehido, 4-hidroxi-3-metoxi-,
C8-H8-O3,
Vanillin 99% for synthesis 100gm,
c0193,
METHYL PROTOCATECHUIC ALDEHYDE,
trans-2-Ethoxy-5-(1-propenyl)phenol,
Vanillin, 99% - 500G 500g,
ACN-046875,
CS-O-11767,
4-Hydroxy-3-methoxybenzaldehyde(Vanilline),
B3679,
H0264,
V0080,
Vanillin (<lt/> 100 microg/ml) in methanol,
C100058,
201595-58-6,
74495-74-2,
8014-42-4,
|
| Complexity | 135 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 152.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 152.149g/mol |
| Monoisotopic Mass | 152.047g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
| Symbol: | |
| Hazard Class | |
| Hazard statements | H319-H412 |
| Packing Group | |
| Precautionary statements | P273-P305+P351+P338 |
| UN Code | \N |
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
| Manufacture Date: | ||
| Storage Temperature: | ||
| Formula: | ||
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