| Identification | More | [Name]
Methyl vanillate | [CAS]
3943-74-6 | [Synonyms]
4-HYDROXY-3-METHOXYBENZOIC ACID METHYL ESTER
METHYL 3-METHOXY-4-HYDROXYBENZOATE
METHYL 4-HYDROXY-3-METHOXYBENZOATE
METHYL VANILLATE
RARECHEM AL BF 0101
TIMTEC-BB SBB008281
VANILLIC ACID METHYL ESTER
4-Hydroxy-3-methoxybenzoic acid methyl ester (methyl vanillate)
4-hydroxy-3-methoxy-benzoicacimethylester
Benzoicacid,4-hydroxy-3-methoxy-,methylester
Methyl ester of 4-hydroxy-3-methoxybenzoic acid
Methyl4-hydroxy-3-mehtoxybenzoate
METHYL VANILLATE (CARNALINE)
METHYL VANILLATE 99+%
4-HYDROXY-3-METHOXYBENZOIC ACID METHYL ESTER 98%
methylvanillate,methyl4-hydroxy-3-methoxybenzoate
62-65oC
4-hydroxy-3-methoxy Methy Benzoate
Vanillic acid, methyl este
3-Methoxy-4-hydroxybenzoic acid methyl ester | [EINECS(EC#)]
223-525-9 | [Molecular Formula]
C9H10O4 | [MDL Number]
MFCD00008438 | [Molecular Weight]
182.17 | [MOL File]
3943-74-6.mol |
| Chemical Properties | Back Directory | [Appearance]
pale yellow to beige powder and granules | [Melting point ]
64-67 °C (lit.) | [Boiling point ]
285-287 °C (lit.) | [density ]
1.2481 (rough estimate) | [refractive index ]
1.4500 (estimate) | [Fp ]
285-287°C | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
Soluble in chloroform and methanol. | [form ]
Powder and Granules | [pka]
8.36±0.18(Predicted) | [color ]
Pale yellow to beige | [Odor]
at 100.00 %. warm spicy vanilla guaiacol phenolic carnation | [biological source]
synthetic | [Odor Type]
vanilla | [BRN ]
1369113 | [Cosmetics Ingredients Functions]
PERFUMING | [InChI]
1S/C9H10O4/c1-12-8-5-6(9(11)13-2)3-4-7(8)10/h3-5,10H,1-2H3 | [InChIKey]
BVWTXUYLKBHMOX-UHFFFAOYSA-N | [SMILES]
COC(=O)c1ccc(O)c(OC)c1 | [LogP]
2.231 (est) | [CAS DataBase Reference]
3943-74-6(CAS DataBase Reference) | [NIST Chemistry Reference]
Benzoic acid, 4-hydroxy-3-methoxy-, methyl ester(3943-74-6) | [EPA Substance Registry System]
3943-74-6(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H315-H319-H335 | [Precautionary statements ]
P261-P264-P271-P280-P302+P352-P305+P351+P338 | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S24/25:Avoid contact with skin and eyes . | [WGK Germany ]
3
| [RTECS ]
DH2430000
| [TSCA ]
Yes | [HS Code ]
29189900 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
pale yellow to beige powder and granules | [Uses]
Methyl Vanillate maintains antimicrobial properties due to the phenylpropanoid moiety in the structure. | [Definition]
ChEBI: A benzoate ester that is the methyl ester of vanillic acid. | [General Description]
Methyl vanillate is a volatile compound present in cloudberries (Rubus Chamaemorus.). | [Biological Activity]
Methyl vanillate, one of the ingredients in Hovenia dulcis Thunb, is a Wnt/β-catenin pathway activator. A benzoate ester that is the methyl ester of vanillic acid. It has a role as an antioxidant and a plant metabolite. | [storage]
Store at -20°C | [References]
[1] PU-HYEON CHA. Hovenia dulcis Thunb extract and its ingredient methyl vanillate activate Wnt/β-catenin pathway and increase bone mass in growing or ovariectomized mice.[J]. PLoS ONE, 2014: e85546. DOI:10.1371/journal.pone.0085546.
[2] ADRIANO DE SOUZA PESSOA . The dimerization of methyl vanillate improves its effect against breast cancer cells via pro-oxidant effect[J]. Chemico-Biological Interactions, 2022, 361: Article 109962. DOI:10.1016/j.cbi.2022.109962.
[3] CHRONG-SHYUA CHU P. D R C Liao. A formal synthesis of (+/-)-reserpine from methyl vanillate[J]. Chemical Communications, 1996, 1 1: 1537-1538. DOI:10.1039/CC9960001537.
[4] JUAN TIAN. Ethyl acetate as a co-solvent and sacrificial ester in the aluminum triiodide promoted chemoselective demethylation of methyl vanillate[J]. Tetrahedron Letters, 2017, 58 36: Pages 3522-3524. DOI:10.1016/j.tetlet.2017.07.089. |
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