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Name Vanillin
CAS 121-33-5
EINECS(EC#) 204-465-2
Molecular Formula C8H8O3
MDL Number MFCD00006942
Molecular Weight 152.15
MOL File 121-33-5.mol

Chemical Properties

Appearance White, crystalline needles; sweetish smell. Soluble in 125 parts water, in 20 parts glycerol, and in 2 parts 95% alcohol; soluble in chloroform and ether. Combustible.
Melting point  81-83 °C(lit.)
Boiling point  170 °C15 mm Hg(lit.)
density  1.06
vapor density  5.3 (vs air)
vapor pressure  >0.01 mm Hg ( 25 °C)
refractive index  1.4850 (estimate)
FEMA  3107
Fp  147 °C
storage temp.  2-8°C
solubility  methanol: 0.1 g/mL, clear
pka pKa 7.396±0.004(H2O I = 0.00 t = 25.0±1.0) (Reliable)
form  Crystalline Powder
color  White to pale yellow
Stability: Stable. May discolour on exposure to light. Moisture-sensitive. Incompatible with strong oxidizing agents, perchloric acid.
PH 4.3 (10g/l, H2O, 20℃)
Water Solubility  10 g/L (25 ºC)
Sensitive  Air & Light Sensitive
JECFA Number 889
Merck  14,9932
Detection Methods HPLC
BRN  472792

Vanillin is a flavorant made from synthetic or artificial vanilla which can be derived from lignin of whey sulfite liquors and is syntheti- cally processed from guaiacol and eugenol. the related product, ethyl vanillin, has three and one-half times the flavoring power of vanillin. vanillin also refers to the primary flavor ingredient in vanilla, which is obtained by extraction from the vanilla bean. vanillin is used as a substitute for vanilla extract, with application in ice cream, desserts, baked goods, and beverages at 60–220 ppm.

CAS DataBase Reference 121-33-5(CAS DataBase Reference)
NIST Chemistry Reference Benzaldehyde, 4-hydroxy-3-methoxy-(121-33-5)
Storage Precautions Air sensitive;Moisture sensitive;Store under nitrogen;Light sensitive
EPA Substance Registry System 121-33-5(EPA Substance)

Safety Data

Hazard Codes  Xn,Xi
Risk Statements 

R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .

Safety Statements 

S24/25:Avoid contact with skin and eyes .
S22:Do not breathe dust .
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 .

WGK Germany  1
RTECS  YW5775000
Autoignition Temperature >400 °C
HS Code  29124100
Safety Profile

Moderately toxic by ingestion, intraperitoneal, subcutaneous, and intravenous routes. Experimental reproductive effects. Human mutation data reported. Can react violently with Br2, HClO4, potassium-tert-butoxide, tert- chlorobenzene + NaOH, formic acid + thallium nitrate. When heated to decomposition it emits acrid smoke and irritating fumes. See also ALDEHYDES.

Hazardous Substances Data 121-33-5(Hazardous Substances Data)

Hazard Information

Material Safety Data Sheet(MSDS)

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