Methyl vanillate

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Names

[ CAS No. ]:
3943-74-6

[ Name ]:
Methyl vanillate

[Synonym ]:
4-Hydroxy-3-methoxybenzoic Acid Methyl Ester
Methyl 4-hydroxy-3-methoxybenzoate
MFCD00008438
Benzoic acid, 4-hydroxy-3-methoxy-, methyl ester
Vanillic Acid Methyl Ester
Vanillic acid, methyl ester (8CI)
Methyl vanillate
EINECS 223-525-9

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
286.0±0.0 °C at 760 mmHg

[ Melting Point ]:
64-67 °C(lit.)

[ Molecular Formula ]:
C9H10O4

[ Molecular Weight ]:
182.173

[ Flash Point ]:
120.2±15.8 °C

[ Exact Mass ]:
182.057907

[ PSA ]:
55.76000

[ LogP ]:
1.54

[ Vapour Pressure ]:
0.0±0.6 mmHg at 25°C

[ Index of Refraction ]:
1.534

[ Storage condition ]:
Room temperature.

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DH2430000
CHEMICAL NAME :
Benzoic acid, 4-hydroxy-3-methoxy-, methyl ester
CAS REGISTRY NUMBER :
3943-74-6
BEILSTEIN REFERENCE NO. :
1369113
LAST UPDATED :
199712
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C9-H10-O4
MOLECULAR WEIGHT :
182.19
WISWESSER LINE NOTATION :
1OVR DQ CO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
180 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#06782

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xi: Irritant;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26-S36-S24/25

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
DH2430000

[ HS Code ]:
2918990090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Methanol
  • Vanillic acid
  • Methyl 4-benzyloxy-3-methoxybenzoate
  • 2-(4-hydroxy-3-methoxyphenyl)-2-methoxyacetonitrile
  • Methyl 4-hydroxy-3-methoxycinnamate
  • Vanillin
  • ferulic acid
  • 1,1,1-Trimethoxyethane
  • Methyl 3,4-dimethoxybenzoate

DownStream

  • Methyl 4-benzyloxy-3-methoxybenzoate
  • 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
  • Methyl 4-hydroxy-3-methoxy-5-nitrobenzoate
  • Methyl 4-(2-hydroxyethoxy)-3-methoxybenzoate
  • 4-Chloro-7-(2-chloroethoxy)-6-methoxy-3-quinolinecarbonitrile
  • Methyl 2-amino-4-(2-chloroethoxy)-5-methoxybenzoate
  • methyl 7-methoxy-2-methyl-1-benzofuran-5-carboxylate
  • 4,5-dimethoxy-2-nitrobenzoyl chloride
  • 4-HYDROXY-3-IODO-5-METHOXYBENZOIC ACID METHYL ESTER

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

  • Methyl vanillate glucoside
  • methyl 3-azido-2-methylidenehexanoate
  • methyl indene
  • methyl 3-azido-4-methyl-2-methylidenehexanoate
  • Methyl 5-amino-4-fluoro-1-methyl-1H-benzo[d]imidazole-6-carboxylate
  • Methyl (2E)-4-(dimethylamino)-2-butenoate