EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

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

Supplier Sponsors

Name:methyl 4-hydroxy-3-methoxybenzoate
CAS Number: 3943-74-6Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:223-525-9
FDA UNII:2HXG8QSO3D
Nikkaji Web:J45.025A
Beilstein Number:1369113
MDL:MFCD00008438
CoE Number:2305
XlogP3:1.80 (est)
Molecular Weight:182.17550000
Formula:C9 H10 O4
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Category:flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
FLAVIS Number:09.799 (Old)
DG SANTE Food Flavourings:09.799 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 mm/Hg @ 25.00 °C. (est)
Flash Point: 248.00 °F. TCC ( 120.20 °C. ) (est)
logP (o/w): 2.231 (est)
Soluble in:
 alcohol
 water, very slightly
 water, 1495 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: vanilla
Odor Strength:medium
Substantivity:232 hour(s) at 100.00 %
warm spicy vanilla guaiacol phenolic carnation
Odor Description:at 100.00 %. warm spicy vanilla guaiacol phenolic carnation
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
BOC Sciences
For experimental / research use only.
Methyl Vanillate
Penta International
METHYL VANILLATE
Santa Cruz Biotechnology
For experimental / research use only.
Methyl Vanillate
Shijiazhuang Donglian Nankai Aroma Chemicals
Methyl Vanillate
Odor: Roast and sweet coffee
Sigma-Aldrich
Methyl vanillate, ≥98%, FG
Certified Food Grade Products
Synerzine
Methyl Vanillate
TCI AMERICA
For experimental / research use only.
Methyl Vanillate >98.0%(GC)
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 22 - Do not breath dust.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
intravenous-mouse LD50 180 mg/kg
U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#06782

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for methyl vanillate usage levels up to:
  2.0000 % 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 Concern:1800 (μg/person/day)
Structure Class: I
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 7.0000035.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 5.0000025.00000
Edible ices, including sherbet and sorbet (03.0): 10.0000050.00000
Processed fruit (04.1): 7.0000035.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 10.0000050.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 5.0000025.00000
Bakery wares (07.0): 10.0000050.00000
Meat and meat products, including poultry and game (08.0): 2.0000010.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 2.0000010.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 5.0000025.00000
Foodstuffs intended for particular nutritional uses (13.0): 10.0000050.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 5.0000025.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 10.0000050.00000
Ready-to-eat savouries (15.0): 20.00000100.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 5.0000025.00000
 
Safety References:
European Food Safety Athority(efsa):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) on a request from the Commission related to Flavouring Group Evaluation 20 (FGE.20): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical group 23
View page or View pdf

Flavouring Group Evaluation 52 (FGE.52): Consideration of hydroxy- and alkoxy-substituted benzyl derivatives evaluated by JECFA (57th meeting) structurally related to benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters evaluated by EFSA in FGE.20 (2005) (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf

Flavouring Group Evaluation 54 (FGE.54)[1] - Consideration of benzyl derivatives evaluated by JECFA (57th meeting) structurally related to benzyl alcohols, benzaldehydes, a related acetal, benzoic acids and related esters evaluated by EFSA in FGE.20 (2005) - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf

Flavouring Group Evaluation 20, Revision 1 (FGE.20Rev1): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids and related esters from chemical group 23
View page or View pdf

Flavouring Group Evaluation 54, Revision 1 (FGE.54Rev1): Consideration of benzyl derivatives evaluated by JECFA (57th meeting) structurally related to benzyl alcohols, benzaldehydes, a related acetal, benzoic acids and related esters evaluated by EFSA in FGE.20Rev1 (2009)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 20, Revision 2 (FGE.20Rev2): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 20, Revision 3(FGE.20Rev3): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 20, Revision 4 (FGE.20Rev4): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30
View page or View pdf

EPI System: View
EPA Substance Registry Services (TSCA):3943-74-6
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :19844
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
methyl 4-hydroxy-3-methoxybenzoate
Chemidplus:0003943746
RTECS:DH2430000 for cas# 3943-74-6
 
References:
 methyl 4-hydroxy-3-methoxybenzoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:3943-74-6
Pubchem (cid):19844
Pubchem (sid):134985513
Flavornet:3943-74-6
Pherobase:View
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
CHEBI:View
CHEMBL:View
Metabolomics Database:Search
HMDB (The Human Metabolome Database):Search
FooDB:FDB029771
YMDB (Yeast Metabolome Database):YMDB01747
Export Tariff Code:2918.99.4700
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
No odor group found for these
bird of paradise fragrance
FR
anisic
anisic
para-
acetanisole
FL/FR
para-
anisaldehyde
FL/FR
ortho-
anisaldehyde
FL/FR
methyl para-anisate
FL/FR
balsamic
benzoin
FL/FR
sumatra
benzoin absolute
FL/FR
siam
benzoin absolute
FL/FR
benzoin absolute replacer
FL/FR
sumatra
benzoin gum
FL/FR
siam
benzoin resin
FL/FR
sumatra
benzoin resin
FL/FR
benzoin resin replacer
FR
siam
benzoin resinoid
FL/FR
sumatra
benzoin resinoid
FL/FR
1-
benzoyl acetone
FL/FR
ethyl cinnamate
FL/FR
peru balsam absolute
FL/FR
peru balsam oil
FL/FR
peru balsam resinoid
FL/FR
berry
raspberry ketone methyl ether
FL/FR
caramellic
levulinic acid
FL/FR
chocolate
chocolate specialty
FR
vanillyl ethyl ether
FL/FR
coconut
alpha-
angelica lactone
FL/FR
coumarinic
coumane
FL/FR
creamy
butyl lactate
FL/FR
geranyl ethyl acetal
FR
para-
vanillic acid
FL/FR
para-
vanillyl alcohol
FL/FR
veratraldehyde
FL/FR
floral
acetophenone
FL/FR
anisyl propanal / methyl anthranilate schiff's base
FR
coffee flower absolute
FR
para-
cresyl laurate
FL/FR
heliotropin
FL/FR
para-
methyl acetophenone
FL/FR
fruity
para-
anisyl propionate
FL/FR
ethyl methyl-para-tolyl glycidate
FL/FR
guaiacyl propionate
FL/FR
tolualdehydes (mixed o,m,p)
FL/FR
vanilla carboxylate
FL/FR
minty
menthoxypropane diol
FL/FR
vanillin menthoxypropane diol acetal
FL/FR
musk
omega-
pentadecalactone
FL/FR
naphthyl
2,4-
dimethyl benzaldehyde
FL/FR
nutty
nutty cyclohexenone
FL/FR
resorcinol
FR
2,3,5,6-
tetramethyl pyrazine
FL/FR
phenolic
ethyl vanillate
FL/FR
ortho-
guaiacol
FL/FR
powdery
para-
anisyl acetate
FL/FR
smoky
alpha-
ethoxy-ortho-cresol
FL/FR
spicy
para-
anisyl formate
FL/FR
clove leaf absolute
FR
clove leaf resinoid
FR
dianthus ethone
FR
4-
ethyl guaiacol
FL/FR
ethyl isoeugenol
FL/FR
(E)-iso
eugenol
FR
(E)-para-
methoxycinnamaldehyde
FL/FR
para-
methoxycinnamaldehyde
FL/FR
4-
methyl guaiacol
FL/FR
spicy acetoacetate
FL/FR
zingerone
FL/FR
sweet
tonka bean absolute replacer
FR
vanilla bean absolute (vanilla spp.)
FL/FR
vanilla oleoresin bali
FL/FR
vanilla oleoresin bourbon
FL/FR
vanilla resinoid
FL/FR
vanilla tahitensis fruit absolute
FR
vanilla tahitensis fruit absolute CO2 extract
FR
vanilla tahitensis fruit extract
FL/FR
vanilla tahitensis fruit oil CO2 extract
FR
tonka
coumarin
FR
mint lactone
FL/FR
octahydrocoumarin
FL/FR
tropical
curcuma amada roxb. rhizome oil CO2 extract
FL/FR
vanilla
acetovanillone
FL/FR
crème brulee fragrance
FR
ortho-
dimethyl hydroquinone
FL/FR
ethyl vanillin
FL/FR
ethyl vanillin acetate
FR
ethyl vanillin diethyl acetal
FR
ethyl vanillin hexylene glycol acetal
FR
ethyl vanillin isobutyrate
FL/FR
ethyl vanillin propylene glycol acetal
FL/FR
heliotropyl alcohol
FL/FR
propenyl guaethol
FL/FR
vanilla
FR
vanilla aromatica fruit extract
FL/FR
vanilla bean absolute (vanilla planifolia)
FL/FR
vanilla bean absolute CO2 extract (vanilla planifolia)
FL/FR
vanilla bean fragrance
FR
vanilla bean oil (vanilla planifolia)
FR
vanilla bean oil (vanilla tahitensis)
FL/FR
vanilla bean oil CO2 extract
FL/FR
vanilla bean tincture
FR
vanilla cresol
FR
vanilla extract
FL/FR
vanilla fragrance
FR
french
vanilla fragrance
FR
country
vanilla fragrance
FR
vanilla planifolia fruit extract
FL/FR
vanilla planifolia fruit infusion
FR
vanilla planifolia fruit water
FL/FR
vanilla specialty
FR
vanillin
FL/FR
vanillin 2,3-butylene glycol acetal
FL/FR
vanillin hexylene glycol acetal
FR
vanillin propylene glycol acetal
FL/FR
vanillyl acetate
FL/FR
vanillyl butyl ether
FL/FR
vanillyl isobutyrate
FL/FR
vanillylidene acetone
FL/FR
woody
guaiacwood oil
FL/FR
guaiacyl acetate
FL/FR
4-
hydroxybenzaldehyde
FL/FR
For Flavor
No flavor group found for these
para-
anisyl propionate
FL/FR
benzoin
FL/FR
1-
benzoyl acetone
FL/FR
coumane
FL/FR
ortho-
dimethyl hydroquinone
FL/FR
alpha-
ethoxy-ortho-cresol
FL/FR
3-(2-
furyl) acrolein
FL
glucoethyl vanillin
FL
glucovanillin
FL
guaiacyl propionate
FL/FR
heliotropyl alcohol
FL/FR
menthoxypropane diol
FL/FR
(E)-para-
methoxycinnamaldehyde
FL/FR
4-
methoxysalicylaldehyde
FL
methyl para-anisate
FL/FR
vanillin menthoxypropane diol acetal
FL/FR
vanillyl butyl ether
FL/FR
vanilmandelic acid
FL
acidic
acidic
levulinic acid
FL/FR
anisic
para-
acetanisole
FL/FR
ortho-
anisaldehyde
FL/FR
balsamic
benzoin absolute replacer
FL/FR
sumatra
benzoin gum
FL/FR
sumatra
benzoin resin
FL/FR
siam
benzoin resin
FL/FR
siam
benzoin resinoid
FL/FR
sumatra
benzoin resinoid
FL/FR
ethyl cinnamate
FL/FR
peru balsam
FL
peru balsam absolute
FL/FR
peru balsam oil
FL/FR
peru balsam resinoid
FL/FR
vanillylidene acetone
FL/FR
berry
raspberry ketone methyl ether
FL/FR
bready
2-
propionyl thiazole
FL
cherry
heliotropin
FL/FR
para-
methoxycinnamaldehyde
FL/FR
coconut
6-
methyl coumarin
FL
octahydrocoumarin
FL/FR
creamy
alpha-
angelica lactone
FL/FR
para-
anisaldehyde
FL/FR
divanillin
FL
ethyl vanillate
FL/FR
4-
hydroxybenzaldehyde
FL/FR
para-
methyl acetophenone
FL/FR
mint lactone
FL/FR
para-
vanillic acid
FL/FR
para-
vanillyl alcohol
FL/FR
veratraldehyde
FL/FR
dairy
butyl lactate
FL/FR
floral
pseudo
ionone
FL
fruity
para-
anisyl acetate
FL/FR
ethyl methyl-para-tolyl glycidate
FL/FR
tolualdehydes (mixed o,m,p)
FL/FR
vanilla carboxylate
FL/FR
meaty
4-
allyl-2,6-dimethoxyphenol
FL
ortho-
thioguaiacol
FL
naphthyl
2,4-
dimethyl benzaldehyde
FL/FR
nutty
furfural acetone
FL
nutty cyclohexenone
FL/FR
2,3,5,6-
tetramethyl pyrazine
FL/FR
powdery
acetophenone
FL/FR
powdery ketone
FL
rummy
vanillyl ethyl ether
FL/FR
spicy
para-
anisyl formate
FL/FR
siam
benzoin absolute
FL/FR
sumatra
benzoin absolute
FL/FR
ethyl isoeugenol
FL/FR
spicy acetoacetate
FL/FR
zingerone
FL/FR
sweet
vanilla bean absolute (vanilla spp.)
FL/FR
vanilla bean aromatica
FL
vanilla bean planifolia
FL
vanilla oleoresin bali
FL/FR
vanilla oleoresin bourbon
FL/FR
vanilla resinoid
FL/FR
vanilla tahitensis fruit extract
FL/FR
tropical
curcuma amada roxb. rhizome oil CO2 extract
FL/FR
vanilla
acetovanillone
FL/FR
ethyl vanillin
FL/FR
ethyl vanillin isobutyrate
FL/FR
ethyl vanillin propylene glycol acetal
FL/FR
4-
methyl guaiacol
FL/FR
omega-
pentadecalactone
FL/FR
propenyl guaethol
FL/FR
vanilla aromatica fruit extract
FL/FR
vanilla bean absolute (vanilla planifolia)
FL/FR
vanilla bean absolute CO2 extract (vanilla planifolia)
FL/FR
vanilla bean oil (vanilla tahitensis)
FL/FR
vanilla bean oil CO2 extract
FL/FR
vanilla bean tahitensis
FL
vanilla extract
FL/FR
vanilla planifolia fruit extract
FL/FR
vanilla planifolia fruit water
FL/FR
vanillin
FL/FR
vanillin 2,3-butylene glycol acetal
FL/FR
vanillin propylene glycol acetal
FL/FR
vanillyl acetate
FL/FR
vanillyl isobutyrate
FL/FR
waxy
para-
cresyl laurate
FL/FR
woody
4-
ethyl guaiacol
FL/FR
ortho-
guaiacol
FL/FR
guaiacwood oil
FL/FR
guaiacyl acetate
FL/FR
 
Potential Uses:
FRamber
FRmoss
FRoriental
FRspice
FRvanilla
FRwoody
 
Occurrence (nature, food, other):note
 champaca concrete @ 0.01%
Data GC Search Trop Picture
 cloudberry fruit - 0.05 mg/kg
Search Trop Picture
 grape
Search Trop Picture
 vanilla
Search Picture
 wine red wine - up to 214 mg/kg
Search Picture
 wine white wine
Search Picture
 
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
 

Articles:

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.).
 
Notes:
Flavouring compound [Flavornet]
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