Vanillic acid

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Names

[ CAS No. ]:
121-34-6

[ Name ]:
Vanillic acid

[Synonym ]:
4-Hydroxy-3-methoxybenzoic acid
EINECS 204-466-8
4-hydroxy-m-Anisic acid
Benzoic acid, 4-hydroxy-3-methoxy-
4-Hydroxy-3-methoxy-benzoic acid
Vanillic acid
MFCD00002551
Acid, Vanillic

Chemical & Physical Properties

[ Density]:
1.4±0.1 g/cm3

[ Boiling Point ]:
353.4±27.0 °C at 760 mmHg

[ Melting Point ]:
208-210 °C(lit.)

[ Molecular Formula ]:
C8H8O4

[ Molecular Weight ]:
168.147

[ Flash Point ]:
149.4±17.2 °C

[ Exact Mass ]:
168.042252

[ PSA ]:
66.76000

[ LogP ]:
1.33

[ Vapour Pressure ]:
0.0±0.8 mmHg at 25°C

[ Index of Refraction ]:
1.586

[ Stability ]:
Stable. Combustible. Incompatible with strong oxidizing agents.

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
YW5300000
CHEMICAL NAME :
Vanillic acid
CAS REGISTRY NUMBER :
121-34-6
BEILSTEIN REFERENCE NO. :
2208364
LAST UPDATED :
199710
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C8-H8-O4
MOLECULAR WEIGHT :
168.16
WISWESSER LINE NOTATION :
QVR DQ CO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
5020 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>2691 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :
Cytogenetic analysis
TEST SYSTEM :
Rodent - hamster Ovary
DOSE/DURATION :
50 gm/L
REFERENCE :
CALEDQ Cancer Letters (Shannon, Ireland). (Elsevier Scientific Pub. Ireland Ltd., POB 85, Limerick, Ireland) V.1- 1975- Volume(issue)/page/year: 14,251,1981

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ Hazard Codes ]:
Xi:Irritant

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S37/39-S26

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
1

[ RTECS ]:
YW5300000

[ HS Code ]:
2918990090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Vanillin
  • 4-(Benzyloxy)-3-methoxybenzaldehyde
  • Creosol
  • Vanillyl alcohol
  • Vanillyl mandelic acid
  • GUAIACYLGLYCEROL-BETA-GUAIACYL ETHER
  • Veratric acid
  • 4-BENZYLOXY-3-METHOXYBENZOIC ACID
  • 4-Hydroxy-3-Methoxybenzonitrile

DownStream

  • 3,4-Dihydroxy-5-methoxybenzoic acid
  • 4-Nitroguaiacol
  • 4-Hydroxy-3-methoxy-5-nitrobenzoic acid
  • Methyl vanillate
  • Methyl isovanillate
  • Vanillyl alcohol
  • 4,4'-(Propane-1,3-diylbis(oxy))bis(5-methoxy-2-nitrobenzoic acid)
  • 4-[5-(4-carboxy-2-methoxy-5-nitrophenoxy)pentoxy]-5-methoxy-2-nitrobenzoic acid
  • benzyl 3-methoxy-4-phenylmethoxybenzoate
  • 4-hydroxy-3-methoxybenzamide

Customs

[ HS Code ]: 2918990090

[ Summary ]:
2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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Related Compounds

  • o-Vanillic acid
  • Vanillic Acid-¹³C6
  • Vanillic acid glucoside
  • Vanillic Acid Hydrazide
  • Vanillic acid, 2-nitro-
  • VANILLIC ACID,ETHYL ESTER
  • tert-butyl N-{1-[5-(3-bromophenyl)-1,2,4-oxadiazol-3-yl]propyl}carbamate
  • benzyl N-(2-{[(2,2-dichlorocyclopropyl)methyl]sulfanyl}phenyl)carbamate
  • tert-butyl N-(3-bromo-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbamate
  • benzyl N-[2-fluoro-5-(3-hydroxypropanesulfonamido)phenyl]carbamate
  • 3-{[(Benzyloxy)carbonyl][(4-methyl-1,3-thiazol-2-yl)methyl]amino}benzoic acid
  • benzyl N-tert-butyl-N-[3-(2-cyanophenoxy)-2-hydroxypropyl]carbamate
  • (9H-fluoren-9-yl)methyl N-[2-(4-cyano-2-methylphenyl)ethyl]carbamate
  • benzyl N-(1-benzylpiperidin-4-yl)-N-(3-hydroxypropyl)carbamate
  • Methyl 4-bromo-3-{[(tert-butoxy)carbonyl]amino}-2-chloro-5-fluorobenzoate
  • benzyl N-[2-(3-bromo-5-chlorophenyl)-2-oxoethyl]carbamate
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