methyl vanillate

benzoic acid, 4-hydroxy-3-methoxy-, methyl ester

CAS: 3943-74-6 C9 H10 O4 MW: 182.17550000 vanilla

Identification

Namemethyl vanillate
IUPACmethyl 4-hydroxy-3-methoxybenzoate
CAS Number3943-74-6
EINECS223-525-9
FDA UNII2HXG8QSO3D
Molecular FormulaC9 H10 O4
Molecular Weight182.17550000
MDL NumberMFCD00008438
Nikkaji NumberJ45.025A
Beilstein1369113
CoE Number2305
XlogP31.80 (est)

Regulatory

DG SANTE Food Flavourings09.799 methyl vanillate

Physical Properties

Appearance white powder (est)
Assay 95.00 to 100.00
Food Chemicals Codex Listed No
Melting Point 63.00 °C. @ 760.00 mm Hg
Boiling Point 286.00 °C. @ 760.00 mm Hg
Vapor Pressure 0.002000 mmHg @ 25.00 °C. (est)
Flash Point 248.00 °F. TCC ( 120.20 °C. ) (est)
logP (o/w) 2.231 (est)
Soluble in alcohol
Insoluble in water

Cosmetic Information

CosIngcosmetic data
Cosmetic Usesperfuming agents

Organoleptic Properties

Odor Strength medium
Substantivity 232 hour(s) at 100.00 %
Odor Description at 100.00 %.

Safety Information

Preferred SDSView
European informationMost important hazard(s):
Oral/Parenteral Toxicityintravenous-mouse LD50 180 mg/kg
Dermal ToxicityNot determined
Inhalation ToxicityNot determined

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements', 'U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#06782']

Safety in Use

Categoryflavor and fragrance agents
RIFM Fragrance Material Safety AssessmentSearch
Recommendation for methyl vanillate usage levels up to2.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU)0.011 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI)3900 (μg/person/day)
Threshold of Concern1800 (μg/person/day)
Structure ClassI
Dairy products, excluding products of category 02.0 (01.0)7.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0)5.00000
Edible ices, including sherbet and sorbet (03.0)10.00000
Processed fruit (04.1)7.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2)-
Confectionery (05.0)10.00000
Chewing gum (05.3)-
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0)5.00000
Bakery wares (07.0)10.00000
Meat and meat products, including poultry and game (08.0)2.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0)2.00000
Eggs and egg products (10.0)-
Sweeteners, including honey (11.0)-
Salts, spices, soups, sauces, salads, protein products, etc. (12.0)5.00000
Foodstuffs intended for particular nutritional uses (13.0)10.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1)5.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2)10.00000
Ready-to-eat savouries (15.0)20.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0)5.00000

BOC Sciences

Best of Chemicals Supplier

Quality supplier of research chemicals and biochemicals including inhibitors, building blocks, GMP Products, impurities and metabolites, APIs for Veterinary, Natural Compounds, ADCs, Stem Cell Molecul...

View All Website 1-631-485-4226 account@bocsci.com

Penta International Corporation

Chemistry innovation

At Penta, our products and services help businesses do business better.

View All Website (973) 740-2300 lisaa@pentamfg.com

Sigma-Aldrich

Complete Supply Chain

The perfect blend of products and services that bring your creativity to life.

View All Website 800-244-1173 ff@sial.com

Synerzine, Inc.

Innovation. Customization. Aroma Ingredients.

Synerzine is a leading supplier of flavor and fragrance ingredients.

View All Website (404) 524-6744 info@synerzine.com

TCI AMERICA

Moving Your Chemistry Forward

We continuously strive to advance our technology.

View All Website 1-800-423-8616 Sales-US@TCIchemicals.com;

Qingdao Free Trade Zone United International Co Ltd

Quality Products

A partner in your supply chain solution.

View All Website +86-532-83893699 info@unitedint.com

Potential Uses

FR amber FR moss FR oriental FR spice FR vanilla FR woody

Natural Occurrence

champaca concrete @ 0.01% Data cloudberry fruit - 0.05 mg/kg grape vanilla wine red wine - up to 214 mg/kg wine white wine

Synonyms

benzoic acid, 4-hydroxy-3-methoxy-, methyl ester 4- hydroxy-3-methoxybenzoic acid methyl ester methyl 3-methoxy-4-hydroxybenzoate methyl 4-hydroxy-3-methoxybenzoate vanillic acid methyl ester vanillic acid, methyl ester PubMed: [Chemical constituents of Illicium burmanicum]. J-Stage: Antioxidative Properties of Vanillic Acid Esters in Multiple Antioxidant Assays PubMed: Laccase catalyzed synthesis of iodinated phenolic compounds with antifungal activity. PubMed: Hovenia dulcis Thunb extract and its ingredient methyl vanillate activate Wnt/β-catenin pathway and increase bone mass in growing or ovariectomized mice. PubMed: Polyphenolic profile as a useful tool to identify the wood used in wine aging. PubMed: Antioxidative properties of vanillic acid esters in multiple antioxidant assays. PubMed: Constituents with tyrosinase inhibitory activities from branches of Ficus erecta var. sieboldii King. PubMed: Phenolic compounds in cherry ( Prunus avium ) heartwood with a view to their use in cooperage. PubMed: Prediction of solubility of drugs and other compounds in organic solvents. PubMed: Volatile compounds of red wines macerated with Spanish, American, and French oak chips. PubMed: Novel caffeic acid ester derivative induces apoptosis by expressing FasL and downregulating NF-KappaB: Potentiation of cell death mediated by chemotherapeutic agents. PubMed: Downregulation of inflammatory responses by novel caffeic acid ester derivative by inhibiting NF-kappa B. PubMed: Oxidation of lignin using aqueous polyoxometalates in the presence of alcohols. PubMed: Preparation of lipophilic alkyl (hydroxy)benzoates by solvent-free lipase-catalyzed esterification and transesterification. PubMed: Linear sesquiterpene lactones from Anthemis auriculata and their antibacterial activity. PubMed: Neuroprotective and free radical scavenging activities of phenolic compounds from Hovenia dulcis. PubMed: Lignin-derived compounds as efficient laccase mediators for decolorization of different types of recalcitrant dyes. PubMed: Molecular determinants of substrate specificity in the feruloyl esterase module of xylanase 10B from Clostridium thermocellum. PubMed: Purification and characterization of PrbA, a new esterase from Enterobacter cloacae hydrolyzing the esters of 4-hydroxybenzoic acid (parabens). PubMed: Isolation and characterization of a veratrol:corrinoid protein methyl transferase from Acetobacterium dehalogenans. PubMed: Field Efficacy of Verticillium lecanii, Sex Pheromone, and Pheromone Analogs as Potential Management Agents for Soybean Cyst Nematode. PubMed: Isoprenyl phenyl ethers from liverworts of the genus Trichocolea: cytotoxic activity, structural corrections, and synthesis. PubMed: Application of a Sex Pheromone, Pheromone Analogs, and Verticillium lecanii for Management of Heterodera glycines. PubMed: Aristolochic acids, aristolactam alkaloids and amides from Aristolochia kankauensis. PubMed: Corrinoid-Dependent Methyl Transfer Reactions Are Involved in Methanol and 3,4-Dimethoxybenzoate Metabolism by Sporomusa ovata. PubMed: Multichannel coulometric detection coupled with liquid chromatography for determination of phenolic esters in honey. PubMed: The influence of heat on the aroma of cloudberries (rubus Chamaemorus l.).