methyl benzyl acetate (mixed ortho-,meta-,para-)
methylbenzyl acetate (mixed o,m,p)
 
Notes:
Used as a food additive [EAFUS]
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1-phenylethyl acetate (mixed o-,m-,p-) (Click)
CAS Number: 29759-11-3Picture of molecule
FDA UNII: P4RVP859F5
Nikkaji Web: J155.063B
Beilstein Number: 1908635
XlogP3: 2.00 (est)
Molecular Weight: 164.20404000
Formula: C10 H12 O2
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
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Perfumer and Flavorist: Search
Google Patents: Search
US Patents: Search
EU Patents: Search
IBM Patents: Obtain
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Pubchem Patents: Search
JECFA Food Flavoring: 863  methylbenzyl acetate (mixed o,m,p)
FEMA Number: 3702  methylbenzyl acetate (mixed o,m,p)
FDA Mainterm: METHYLBENZYL ACETATE (MIXED O-, M-, P-)
FDA Regulation:
FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION
Subpart F--Flavoring Agents and Related Substances
Sec. 172.515 Synthetic flavoring substances and adjuvants.
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 98.00 to 100.00 % sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity: 1.02400 to 1.04000 @  25.00 °C.
Pounds per Gallon - (est).: 8.521 to  8.654
Refractive Index: 1.50000 to 1.51000 @  20.00 °C.
Boiling Point: 215.00 to  222.00 °C. @ 760.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure: 0.203000 mm/Hg @ 25.00 °C. (est)
Flash Point: 196.00 °F. TCC ( 91.11 °C. )
logP (o/w): 2.351 (est)
Soluble in:
 alcohol
 water, 481.1 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
Odor Type: floral
Odor Strength: high ,
recommend smelling in a 1.00 % solution or less
 sweet  floral  fruity  herbal  
Odor Description:
at 1.00 % in dipropylene glycol. 
sweet floral fruity herbal
  
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: masking agents
perfuming agents
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Suppliers:
Parchem
methyl benzyl acetate (mixed ortho-,meta-,para-)
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
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Safety Information:
 
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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for methyl benzyl acetate (mixed ortho-,meta-,para-) usage levels up to:
  0.5000 % in the fragrance concentrate.
 
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 13
Click here to view publication 13
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): -1.00000
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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Safety References:
Flavor & Extract Manufacturers Association (FEMA) reference(s):
The FEMA GRAS assessment of benzyl derivatives used as flavor ingredients.View pdf
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 62341
National Institute of Allergy and Infectious Diseases: Data
 1-phenylethyl acetate (mixed o-,m-,p-)
Chemidplus: 0029759113
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References:
 1-phenylethyl acetate (mixed o-,m-,p-)
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 62341
Pubchem (sid): 135019877
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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
FDA Everything Added to Food in the United States (EAFUS): View
CHEMBL: View
HMDB (The Human Metabolome Database): Search
FooDB: FDB009818
ChemSpider: View
Read: Under the conditions of intended use - New developments in the FEMA GRAS program and the safety assessment of flavor ingredients
Read: A GRAS assessment program for flavor ingredients
Read: Sensory testing for flavorings with modifying properties. Food Technology
Read: Criteria for the safety evaluation of flavoring substances
Read: A procedure for the safety evaluation of natural flavor complexes used as ingredients in food: essential oils
Read: FEMA Expert Panel: 30 Years of safety evaluation for the flavor industry
Read: Consumption ratio and food predominance of flavoring materials
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Potential Blenders and core components note
 
For Odor
No odor group found for these
(E+Z)-4,8-dimethyl-3,7-nonadien-2-oneFL/FR
anisic
 amyl furoateFL/FR
balsamic
 benzyl cinnamateFL/FR
 cinnamyl formateFL/FR
caramellic
 diethyl malateFL/FR
citrus
2-heptanolFL/FR
earthy
 spathulenol 
ethereal
 ethyl 4-pentenoateFL/FR
fatty
 butyl undecylenateFL/FR
4-ethyl octanoic acidFL/FR
fermented
 methyl decanoateFL/FR
floral
 acetal 318FR
isoamyl angelateFL/FR
alpha-amyl cinnamaldehydeFL/FR
 benzyl acetateFL/FR
 benzyl acetoacetateFL/FR
 benzyl acetoneFL/FR
 benzyl formateFL/FR
 butyl tiglateFR
 cassis cyclohexeneFR
 citronellyl butyrateFL/FR
 citronellyl hexanoateFL/FR
 citronellyl propionateFL/FR
(E)-citronellyl tiglateFL/FR
 dihydrojasmoneFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 geraniolFL/FR
 geranyl tiglateFL/FR
 menthadienyl formateFR
 methoxymelonalFL/FR
alpha-isomethyl ionone (90% min.)FL/FR
 methyl ionyl acetateFL/FR
 nonan-3-yl acetateFL/FR
3-nonanon-1-yl acetateFL/FR
3-nonanoneFL/FR
 orris rhizome concrete butter (iris pallida)FL/FR
 petitgrain lemon oilFL/FR
 phenethyl isobutyrateFL/FR
 phenethyl isovalerateFL/FR
1-phenyl propyl butyrateFL/FR
2-phenyl propyl isobutyrateFL/FR
4-phenyl-3-buten-2-olFL/FR
isopropyl benzoateFL/FR
 rose undeceneFR
 star fruit oil cubaFL/FR
 terpinyl valerateFL/FR
 tetrahydroionyl acetateFR
fruity
para-anisyl propionateFL/FR
 benzaldehyde / methyl anthranilate schiff's baseFR
isobutyl anthranilateFL/FR
isobutyl furyl propionateFL/FR
 citronellyl isobutyrateFL/FR
beta-damasconeFL/FR
(E)-beta-damasconeFL/FR
(Z)-beta-damasconeFL/FR
 eriocephalus punctulatus flower oilFR
 ethyl levulinateFL/FR
 heptyl isobutyrateFL/FR
para-menth-1-ene-9-olFL/FR
3-mercaptohexyl acetateFL/FR
 methyl (Z)-3-hexenoateFL/FR
2-methyl butyl isovalerateFL/FR
 methyl isobutyrateFL/FR
(E)-7-methyl-3-octen-2-oneFL/FR
 rhubarb pyranFR
4-(para-tolyl)-2-butanoneFL/FR
 tropical iononeFL/FR
green
isoamyl 3-(2-furan) propionateFL/FR
isobutyl heptanoateFL/FR
 butyl heptanoateFL/FR
isobutyl methyl ketoneFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
 hexoxyacetaldehyde dimethyl acetalFR
 hexyl tiglateFL/FR
herbal
isoamyl heptanoateFL/FR
 buchu mercaptan acetateFL/FR
 butyl levulinateFL/FR
 chamomile isobutyrateFR
 chamomile propionateFR
 chamomile valerateFR
 clary propyl acetateFR
 cuminyl acetateFL/FR
 linalyl octanoateFL/FR
1-para-menthen-9-yl acetateFL/FR
 methyl cyclogeranateFR
 methyl hexyl etherFL/FR
(1S,5R)-myrtenyl acetateFL/FR
3-octanon-1-olFL/FR
beta-sesquiphellandrene 
 rue flower oil colombia 
 rue oilFL/FR
 rue oil cubaFL/FR
 tagete oil CO2 extractFL/FR
 tagete oil rwandaFL/FR
 tagete oil south africaFL/FR
 tagete oil turkeyFL/FR
 tagete oil zambiaFL/FR
 tricyclodecenyl propionateFR
 viridiflorolFL/FR
orris
 orris capronateFL/FR
powdery
alpha-methyl iononeFL/FR
spicy
para-anisyl formateFL/FR
woody
2-decalinyl acetateFR
 
For Flavor
 
No flavor group found for these
1-acetyl cyclohexyl acetateFL
 amyl angelateFL
isoamyl angelateFL/FR
 amyl furoateFL/FR
para-anisyl propionateFL/FR
 benzyl methyl tiglateFL
isobutyl heptanoateFL/FR
2-butyl thiopheneFL
 cinnamyl formateFL/FR
 cuminyl acetateFL/FR
(Z)-beta-damasconeFL/FR
 diethyl malateFL/FR
2,4-difurfuryl furanFL
S-(2,5-dimethyl-3-furyl) ethane thioateFL
(E+Z)-4,8-dimethyl-3,7-nonadien-2-oneFL/FR
 ethyl 4-pentenoateFL/FR
alpha-isomethyl ionone (90% min.)FL/FR
 nonan-3-yl acetateFL/FR
3-nonanon-1-yl acetateFL/FR
3-nonanoneFL/FR
3-octanon-1-olFL/FR
beta-sesquiphellandrene 
1-phenyl propyl butyrateFL/FR
2-phenyl propyl isobutyrateFL/FR
isopropyl benzoateFL/FR
 rue flower oil colombia 
 spathulenol 
 viridiflorolFL/FR
acidic
(E)-2-hexenoic acidFL
aromatic
 dimethyl benzyl carbinyl acetateFL/FR
berry
 heptyl isobutyrateFL/FR
burnt
 ethyl 2-furoateFL
citrus
 petitgrain lemon oilFL/FR
coconut
 butyl heptanoateFL/FR
ethereal
 methyl hexyl etherFL/FR
 methyl isobutyrateFL/FR
fatty
 butyl undecylenateFL/FR
4-ethyl octanoic acidFL/FR
 methyl decanoateFL/FR
(E)-7-methyl-3-octen-2-oneFL/FR
floral
 benzyl acetoacetateFL/FR
 citronellyl hexanoateFL/FR
 citronellyl propionateFL/FR
 dihydrojasmoneFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 geraniolFL/FR
 geranyl tiglateFL/FR
 orris rhizome concrete butter (iris pallida)FL/FR
 tropical iononeFL/FR
fruity
 benzyl acetateFL/FR
 benzyl acetoneFL/FR
 benzyl formateFL/FR
 buchu mercaptan acetateFL/FR
isobutyl anthranilateFL/FR
isobutyl furyl propionateFL/FR
 citronellyl butyrateFL/FR
 citronellyl isobutyrateFL/FR
 ethyl levulinateFL/FR
2-heptanolFL/FR
2-hexyl-4-acetoxytetrahydrofuranFL
1-para-menthen-9-yl acetateFL/FR
 methoxymelonalFL/FR
 methyl (Z)-3-hexenoateFL/FR
 methyl 4-phenyl butyrateFL
2-methyl butyl isovalerateFL/FR
 phenethyl isovalerateFL/FR
2-phenyl-4-pentenalFL
 star fruit oil cubaFL/FR
 tagete oil CO2 extractFL/FR
 tagete oil rwandaFL/FR
 tagete oil south africaFL/FR
 tagete oil turkeyFL/FR
 tagete oil zambiaFL/FR
 terpinyl valerateFL/FR
4-(para-tolyl)-2-butanoneFL/FR
green
isoamyl 3-(2-furan) propionateFL/FR
isobutyl methyl ketoneFL/FR
beta-damasconeFL/FR
(E)-beta-damasconeFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
 hexyl tiglateFL/FR
herbal
isoamyl heptanoateFL/FR
 butyl levulinateFL/FR
 linalyl octanoateFL/FR
para-menth-1-ene-9-olFL/FR
 orris capronateFL/FR
 rue oilFL/FR
 rue oil cubaFL/FR
honey
 phenethyl isobutyrateFL/FR
leafy
(E)-citronellyl tiglateFL/FR
spicy
para-anisyl formateFL/FR
 benzyl cinnamateFL/FR
tropical
alpha-amyl cinnamaldehydeFL/FR
3-mercaptohexyl acetateFL/FR
waxy
alpha-methyl iononeFL/FR
4-phenyl-3-buten-2-olFL/FR
woody
 methyl ionyl acetateFL/FR
(1S,5R)-myrtenyl acetateFL/FR
 
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Potential Uses:
 floralFR
 fruitFR
 herbalFR
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
 methyl benzene methanol acetate (mixed ortho-,meta-,para-)
 methyl benzyl alcohol acetate (mixed ortho-,meta-,para-)
 methylbenzenemethanol acetate (mixed o-,m-,p-)
 methylbenzenemethanol acetate (mixed ortho-,meta-,para-)
 methylbenzyl acetate (mixed o,m,p)
 methylbenzyl alcohol acetate (mixed o-,m-,p-)
1-phenyl ethyl acetate (mixed ortho-,meta-,para-)
1-phenylethyl acetate (mixed o-,m-,p-)
1-phenylethyl acetate (mixed ortho-,meta-,para-)
 tolyl acetate (mixed o,m,p)
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