Methyl vanillate
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
Biological Activity
[Description]:
[Related Catalog]:
[Target]
Wnt/β-catenin[1]
[In Vitro]
[References]
[Related Small Molecules]
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
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
Precursor & DownStream
Precursor
DownStream
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%
Articles
Bioorg. Med. Chem. 18 , 3823-33, (2010)
A series of 33 novel divanillates and trivanillates were synthesized and found to possess promising cytostatic rather than cytotoxic properties. Several compounds under study decreased by >50% the act...
The influence of heat on the aroma of cloudberries (rubus Chamaemorus l.).Z. Lebensm. Unters. Forsch. 163(1) , 25-30, (1977)
The qualitative and quantitative differences between the volatiles of fresh and heated cloudberries have been evaluated and the significance of the differences calculated. 14 new cloudberry volatiles ...
Linear sesquiterpene lactones from Anthemis auriculata and their antibacterial activity.J. Nat. Prod. 69 , 662-4, (2006)
Three linear sesquiterpene lactones, anthecotulide (1), hydroxyanthecotulide (2), and acetoxyanthecotulide (3), were isolated from the aerial parts of Anthemis auriculata. Five known flavonoids, tarax...