121-34-6

Name Vanillic acid
CAS 121-34-6
EINECS(EC#) 204-466-8
Molecular Formula C8H8O4
MDL Number MFCD00002551
Molecular Weight 168.15
MOL File 121-34-6.mol

Chemical Properties

Appearance white odourless crystals or powder
Melting point  208-210 °C(lit.)
Boiling point  257.07°C (rough estimate)
density  1.3037 (rough estimate)
FEMA  3988
refractive index  1.5090 (estimate)
storage temp.  Store below +30°C.
solubility  Acetonitrile (Slightly), Aqueous Base (Slightly), DMSO (Slightly), Methanol (Sli
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
Stability: Stable. Combustible. Incompatible with strong oxidizing agents.
biological source synthetic
Odor Type creamy
Water Solubility  Soluble in water, alcohol and ether.
JECFA Number 959
Merck  14,9931
BRN  2208364
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)
NIST Chemistry Reference Benzoic acid, 4-hydroxy-3-methoxy-(121-34-6)
EPA Substance Registry System 121-34-6(EPA Substance)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
WGK Germany  1
RTECS  YW5300000
Hazard Note  Irritant
TSCA  Yes
REACH Registrations Active
HS Code  29189090
Storage Class 11 - Combustible Solids

Raw materials And Preparation Products

Hazard Information

Material Safety Data Sheet(MSDS)

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