Identification

Namemethyl phenyl acetate
IUPACmethyl 2-phenylacetate
CAS Number101-41-7
EINECS202-940-9
FDA UNIID4PDC41X96
Molecular FormulaC9 H10 O2
Molecular Weight150.17710000
MDL NumberMFCD00008453
Nikkaji NumberJ363H
Beilstein0878795
CoE Number2155
XlogP31.80 (est)

Regulatory

JECFA Food Flavoring1008 methyl phenylacetate
DG SANTE Food Flavourings09.783 methyl phenylacetate
FEMA Number2733
FDANo longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF)101-41-7 ; METHYL PHENYLACETATE
FDA RegulationFDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION

Physical Properties

Appearance colorless clear liquid (est)
Assay 97.00 to 100.00
Food Chemicals Codex Listed Yes
Specific Gravity 1.06200 to 1.06600 @ 25.00 °C.
Pounds per Gallon - (est). 8.837 to 8.870
Refractive Index 1.50600 to 1.50900 @ 20.00 °C.
Boiling Point 215.00 to 217.00 °C. @ 760.00 mm Hg
Acid Value 1.00 max. KOH/g
Vapor Pressure 0.129000 mmHg @ 25.00 °C. (est)
Vapor Density 5.1 ( Air = 1 )
Flash Point 195.00 °F. TCC ( 90.56 °C. )
logP (o/w) 1.830
Shelf Life 24.00 month(s) or longer if stored properly.
Storage store in cool, dry place in tightly sealed containers, protected from heat and light.
Soluble in alcohol
Insoluble in paraffin oil
Stability non-discoloring in most media
Similar Items note

Cosmetic Information

CosIngcosmetic data
Cosmetic Usesperfuming agents

Organoleptic Properties

Odor Strength high ,
Substantivity 56 hour(s) at 100.00 %
Odor Description
at 10.00 % in dipropylene glycol.
Sweet, floral, fruity, honey and spice like
strong, very sweet, like honey
sweet, floral, fruity, honey and spicy note
Odor sample from Givaudan Corporation
Taste Description
at 30.00 ppm.
honey, sweet, waxy, green, floral
honey, sweet, waxy, green, floral, spicy

Safety Information

Preferred SDSView
European informationMost important hazard(s):
Human Experience8 % solution: no irritation or sensitization.
Oral/Parenteral Toxicityoral-rat LD50 2550 mg/kg
Dermal Toxicityskin-rabbit LD50 2400 mg/kg
Inhalation ToxicityNot determined

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Categoryflavor and fragrance agents
RIFM Fragrance Material Safety AssessmentSearch
Recommendation for methyl phenyl acetate usage levels up to8.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU)95.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA)20.00 (μg/capita/day)
Structure ClassI
baked goods-
beverages(nonalcoholic)-
beverages(alcoholic)-
breakfast cereal-
cheese-
chewing gum-
condiments / relishes-
confectionery froastings-
egg products-
fats / oils-
fish products-
frozen dairy-
fruit ices-
gelatins / puddings-
granulated sugar-
gravies-
hard candy-
imitation dairy-
instant coffee / tea-
jams / jellies-
meat products-
milk products-
nut products-
other grains-
poultry-
processed fruits-
processed vegetables-
reconstituted vegetables-
seasonings / flavors-
snack foods-
soft candy-
soups-
sugar substitutes-
sweet sauces-

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Potential Uses

FL absinthe FR acacia FR amber FR apple FR apricot FR arnica flower FR baby powder FR balsam FR banana FR beeswax absolute replacer blossom tropical blossom FR bouquet FR bramble arctic bramble blackberry FL brandy FL bread FL butter rum FL cappuccino FL caramel FL cereal FL chocolate cocoa FR civet FR coffee FR cotton candy FR country meadow FR crabapple blossom FR date FR eglantine FR elder berry FR elder flower FL fermented fixer FR flouve blossom fruit dried fruit FL fruit tropical fruit FR gingerbread FL/FR guaiacwood FR guava FR habuba FR honey FR honeysuckle FR iris blossom FL jackfruit FR jasmin FR licorice FR lily FR malt FL/FR marigold FR melon FL molasses FR orange FR orange blossom FR orchid FR oriental FR papaya FR passion blossom FR passion fruit FR peanut FR pepper FR pineapple FR pomegranate FR popcorn FR raspberry FR rose FR rose moss rose FR rose tea rose FR rose white rose rose wild rose FL rum butter FR sandalwood FR scented stock FR strawberry FR styrax FL sugar brown sugar FR sweet pea FR tobacco FR toffee FL tropical FR wallflower waxy FR wine FR wormwood oil replacer

Natural Occurrence

brandy apple brandy PMC capsicum cayenne fruit champaca concrete @ 0.10% Data cichorium intybus l. root extract @ trace% Data cocoa coffee PMC corn silk oil eschweilera coriacea (a. p. dc.) mori flower oil brazil @ 0.40% Data honey PMC hop oil peanut pepper PMC wine

Synonyms

acetic acid, phenyl-, methyl ester benzene acetic acid methyl ester benzeneacetic acid methyl ester benzeneacetic acid, methyl ester methyl 2-phenyl acetate methyl 2-phenylacetate methyl a-toluate methyl alpha-phenyl acetate methyl alpha-toluate methyl benzene acetate methyl benzene ethanoate methyl benzeneacetate methyl benzeneethanoate methyl benzylformate methyl phenyl acetate FCC methyl phenyl acetate natural methyl phenyl ethanoate methyl phenylacetate methyl phenylethanoate methyl-phenylacetate phenyl acetic acid methyl ester phenyl methyl acetate phenyl-acetic acid methyl ester phenyl-aceticacidmethylester phenylacetic acid, methyl ester PubMed: Evaluation of styrene-divinylbenzene beads as a support to immobilize lipases. J-Stage: A Novel Alkaline Esterase from Sporosarcina sp. nov. Strain eSP04 Catalyzing the Hydrolysis of a Wide Variety of Aryl-carboxylic Acid Esters PubMed: (-)-(2S,3R,Z)-Nakinadine A: first asymmetric synthesis and absolute configuration assignment. PubMed: Enhancement of 4-acetylantroquinonol B production by supplementation of its precursor during submerged fermentation of Antrodia cinnamomea. PubMed: Formation of complex natural flavours by biotransformation of apple pomace with basidiomycetes. PubMed: Diagnostic potential of the pulsed discharged helium ionization detector (PDHID) for pathogenic Mycobacterial volatile biomarkers. PubMed: Assessment of potential causes of falsely positive Mycobacterium tuberculosis breath test. PubMed: Enantioselective acylation of β-phenylalanine acid and its derivatives catalyzed by penicillin G acylase from Alcaligenes faecalis. PubMed: Solvent- or temperature-controlled diastereoselective aldol reaction of methyl phenylacetate. PubMed: Changes in volatile compound composition of Antrodia camphorata during solid state fermentation. PubMed: Analysis, occurrence and potential sensory significance of aliphatic aldehydes in white wines. PubMed: Honeybees Apis mellifera can detect the scent of Mycobacterium tuberculosis. PubMed: Plant odor analysis of potato: response of guatemalan moth to above- and belowground potato volatiles. PubMed: The scent of Mycobacterium tuberculosis. PubMed: GRID/tetrahedral intermediate computational approach to the study of selectivity of penicillin G acylase in amide bond synthesis. PubMed: 5-Substituted 2,3-dihydro-6-mercapto-1,3-diphenyl-2-thioxo-4(3H)-pyrimidinones and their 6-(acylthio) derivatives with platelet antiaggregating, antiinflammatory, antiarrhythmic, antihyperlipidemic and other activities. PubMed: Stereoselective aliphatic hydroxylation of 6-n-propylchromone-2-carboxylic acid by female Dutch rabbits. PubMed: A GLC and GC/MS study of the reaction between benzylpenicillin and BF3-methanol. PubMed: Metabolism of debrisoquine sulphate in rat, dog and man.