Vanillic acid  Structure

Vanillic acid

Chemical Properties

Melting point 208-210 °C(lit.)
Boiling point 257.07°C (rough estimate)
Density  1.3037 (rough estimate)
refractive index  1.5090 (estimate)
FEMA  3988 | 4-HYDROXY-3-METHOXYBENZOIC ACID
FLAVIS Number 08.043 | Vanillic acid
storage temp.  Store below +30°C.
solubility  Acetonitrile (Slightly), Aqueous Base (Slightly), DMSO (Slightly), Methanol (Slightly)
form  Liquid
pka pKa 4.53(H2O t = 25 c = 0.016–0.001) (Uncertain)
color  Clear colorless to brown, may darken during storage
Odor at 100.00 %. dairy milky custard creamy powdery vanilla bean
Odor Type creamy
biological source synthetic
Water Solubility  Soluble in water, alcohol and ether.
Merck  14,9931
JECFA Number 959
BRN  2208364
Stability Stable. Combustible. Incompatible with strong oxidizing agents.
Cosmetics Ingredients Functions NOT REPORTED
InChI 1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)
InChIKey WKOLLVMJNQIZCI-UHFFFAOYSA-N
SMILES COc1cc(ccc1O)C(O)=O
LogP 1.30
CAS DataBase Reference 121-34-6(CAS DataBase Reference)
Substances Added to Food (formerly EAFUS) VANILLIC ACID
EWG's Food Scores 1
FDA UNII GM8Q3JM2Y8
NIST Chemistry Reference Benzoic acid, 4-hydroxy-3-methoxy-(121-34-6)
EPA Substance Registry System Vanillic acid (121-34-6)
UNSPSC Code 41116107
NACRES NA.24

Safety

Symbol(GHS) GHS hazard pictograms
Signal wordWarning
Hazard statements H315-H319-H335
Precautionary statements P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  37/39-26-36
WGK Germany  1
RTECS  YW5300000
Hazard Note  Irritant
TSCA  TSCA listed
HS Code  29189090
Storage Class 11 - Combustible Solids
NFPA 704:
1
2 0

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