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
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  • 6-Phenyl-2-({[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-4-pyrimidinol
  • 2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylthio]-6-phenyl-1H-pyrimidin-4-one
  • N-[3-(trifluoromethyl)benzyl]-4H-3,1-benzothiazin-2-amine
  • Methyl 2-(benzylsulfanyl)-5-(4-chlorophenyl)-7-methyl-4-oxo-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate
  • N-benzyl-2-({4-oxo-1-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl}sulfanyl)acetamide
  • 2-[(Cyclopropylamino)methylidene]-1h-indene-1,3(2h)-dione
  • 2-((5-Benzyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio)acetic acid
  • 3-Methyl-5-[(E)-2-(5-methylfuran-2-yl)ethenyl]-1,2,4-oxadiazole
  • 2-(2-Chloro-phenylamino)-5,5-bis-hydroxymethyl-thiazol-4-one
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