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3943-74-6

3943-74-6 structure
3943-74-6 structure
  • Name: Methyl vanillate
  • Chemical Name: methyl vanillate
  • CAS Number: 3943-74-6
  • Molecular Formula: C9H10O4
  • Molecular Weight: 182.173
  • Catalog: Chemical reagent Organic reagent Ester Methyl ester compound
  • Create Date: 2018-08-24 13:13:49
  • Modify Date: 2024-01-03 17:32:22
  • Methyl vanillate, one of the ingredients in Hovenia dulcis Thunb, is a Wnt/β-catenin pathway activator[1]. A benzoate ester that is the methyl ester of vanillic acid. It has a role as an antioxidant and a plant metabolite.

Name methyl vanillate
Synonyms 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
Description Methyl vanillate, one of the ingredients in Hovenia dulcis Thunb, is a Wnt/β-catenin pathway activator[1]. A benzoate ester that is the methyl ester of vanillic acid. It has a role as an antioxidant and a plant metabolite.
Related Catalog
Target

Wnt/β-catenin[1]

In Vitro Methyl vanillate (0-100 μM) increases the expression and nuclear translocation of β-catenin in calvarial osteoblasts. Methyl vanillate dose-dependently elevates ALP activity in calvarial osteoblasts[1].
References

[1]. Cha PH, et al. Hovenia dulcis Thunb extract and its ingredient methyl vanillate activate Wnt/β-catenin pathway and increase bone mass in growing or ovariectomized mice. PLoS One. 2014 Jan 22;9(1):e85546.

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.

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
Symbol GHS07
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
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%