ortho-cresyl acetate
o-tolyl acetate
 
Notes:
Used as a food additive [EAFUS]
  • BOC Sciences
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      Product(s):
      533-18-6 Acetic acid o-tolyl ester
       
  • Penta International
    • Penta International Corporation
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      Product(s):
      20-59300 o-TOLYL ACETATE
       
  • Synerzine
    • Synerzine, Inc.
      Innovation. Customization. Aroma Ingredients.
      Synerzine is a leading supplier of flavor and fragrance ingredients.
      Synerzine expresses what we have grown to embody as an organization - the synergy and connection between raw ingredients, science, technology, and the final product. Our experienced team is passionate about bringing our customers high-quality innovative ingredients that they can trust.
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      Product(s):
      W1776 o-Tolyl Acetate
       
  • TCI AMERICA
    • TCI AMERICA
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      Product(s):
      A0669 o-Tolyl Acetate >98.0%(GC)
       
Synonyms   Articles   Notes   Search
CAS Number: 533-18-6Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 208-556-8
FDA UNII: 606K99GR0L
Nikkaji Web: J7.000I
MDL: MFCD00053704
CoE Number: 2078
XlogP3: 1.60 (est)
Molecular Weight: 150.17710000
Formula: C9 H10 O2
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
JECFA Food Flavoring: 698  o-tolyl acetate
DG SANTE Food Flavourings: 09.228  o-tolyl acetate
FEMA Number: 3072 o-tolyl acetate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):533-18-6 ; O-TOLYL ACETATE
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: 99.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 208.00 °C. @ 760.00 mm Hg
Boiling Point: 87.00 °C. @ 12.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure: 0.164000 mmHg @ 25.00 °C.
Flash Point: 183.00 °F. TCC ( 83.89 °C. )
logP (o/w): 1.930
Soluble in:
 alcohol
 water, 1703 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: medicinal
 
Odor Strength: high ,
recommend smelling in a 0.10 % solution or less
 
 fruit dried fruit  medicinal  sweet  floral  
Odor Description:
at 0.10 % in dipropylene glycol. 
fruit medicinal sweet floral
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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Suppliers:
BOC Sciences
For experimental / research use only.
Acetic acid o-tolyl ester
Penta International
o-TOLYL ACETATE
Santa Cruz Biotechnology
For experimental / research use only.
o-Tolyl Acetate >98.0%(gc)
Synerzine
o-Tolyl Acetate
TCI AMERICA
For experimental / research use only.
o-Tolyl Acetate >98.0%(GC)
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Safety Information:
Preferred SDS: View
 
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
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for ortho-cresyl acetate usage levels up to:
  0.0200 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.12 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 40.00 (μg/capita/day)
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: 3
Click here to view publication 3
 average usual ppmaverage maximum ppm
baked goods: 9.0000010.00000
beverages(nonalcoholic): -2.80000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: 0.30000220.00000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -2.60000
fruit ices: -2.60000
gelatins / puddings: -1.00000
granulated sugar: --
gravies: --
hard candy: -11.00000
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:
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) related to Flavouring Group Evaluation 22 (FGE.22): Ring-substituted phenolic substances from chemical groups 21 and 25 (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf
Flavouring Group Evaluation 58 (FGE.58) Consideration of phenol derivatives evaluated by JECFA (55th meeting) structurally related to ring substituted phenolic substances evaluated by EFSA in FGE.22 (2006) (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
Scientific Opinion on Flavouring Group Evaluation 22, Revision 1 (FGE.22Rev1): Ring-substituted phenolic substances from chemical groups 21 and 25
View page or View pdf
EPI System: View
EPA Substance Registry Services (TSCA): 533-18-6
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 10778
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 2
 (2-methylphenyl) acetate
Chemidplus: 0000533186
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References:
 (2-methylphenyl) acetate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 533-18-6
Pubchem (cid): 10778
Pubchem (sid): 134977034
Pherobase: View
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Other Information:
(IUPAC): Atomic Weights of the Elements 2011 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
FDA Substances Added to Food (formerly EAFUS): View
HMDB (The Human Metabolome Database): HMDB32073
FooDB: FDB008786
Export Tariff Code: 2915.39.3500
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
aldehydic
2,6-dimethyl-2,18-nonadecadien-8-one 
3-methyl-4-hexyl oxybutyraldehydeFR
balsamic
 cinnamyl formateFL/FR
citrus
(R)-citronellyl nitrileFR
 citronitrile (Symrise)FR
2-heptanolFL/FR
ethereal
3-cyclohexyl propyl acetate 
fatty
 butyl undecylenateFL/FR
fermented
 methyl decanoateFL/FR
floral
 acetal 318FR
isoamyl angelateFL/FR
 benzyl acetateFL/FR
 benzyl acetoacetateFL/FR
 benzyl isobutyrateFL/FR
 blue lagoon fragranceFR
(S)-citronellyl acetateFL/FR
 citronellyl butyrateFL/FR
 citronellyl hexanoateFL/FR
(E)-citronellyl tiglateFL/FR
3-cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, methyl esterFR
 cymbopogon validus leaf oilFR
 dimethyl benzyl carbinyl acetateFL/FR
3,6-dimethyl-3-octyl acetateFR
 ethyl anthranilateFL/FR
 ethyl ethyl anthranilateFL/FR
 eucalyptus macarthurii oilFR
 geraniolFL/FR
 geranyl isobutyrateFL/FR
 hibiscus fragranceFR
 ionone mixed isomersFL/FR
 jasmin cyclopentanoneFR
isojasmoneFL/FR
 linalyl butyrateFL/FR
 magnolia flower oil CO2 extractFL/FR
 magnolia specialtyFR
 menthadienyl formateFR
ortho-methoxybenzyl ethyl etherFR
 methoxymelonalFL/FR
1-(2-methyl allyl oxy)-3-methoxy-3-methyl-1-butaneFR
para-methyl benzyl acetateFL/FR
 methyl benzyl acetate (mixed ortho-,meta-,para-)FL/FR
alpha-isomethyl ionone (90% min.)FL/FR
 methyl ionyl acetateFL/FR
pink nelumbo nucifera flower absoluteFR
white nelumbo nucifera flower absoluteFR
white nelumbo nucifera flower concreteFR
3-nonanon-1-yl acetateFL/FR
1-(octahydro-4,7-methanoinden-5-yl)-propan-2-one + 1-(6-methyloctahydro-4,7-methanoinden-5-yl)-ethanone 
 orris rhizome concrete butter (iris pallida)FL/FR
 osmanthus absolute replacerFR
 osmanthus concreteFL/FR
 petitgrain mandarin 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
 rhodinyl butyrateFL/FR
 rose undeceneFR
 souroubea specialtyFR
 star fruit oil cubaFL/FR
 styralyl propionateFL/FR
 terpinyl valerateFL/FR
 tetrahydroionyl acetateFR
fruity
 allyl benzoateFR
 apricot essenceFL/FR
 benzaldehyde / methyl anthranilate schiff's baseFR
 benzyl propionateFL/FR
 benzyl valerateFL/FR
 berry hexanoateFR
 butyl 2-naphthyl etherFL/FR
isobutyl furyl propionateFL/FR
 citronellyl isobutyrateFL/FR
(E)-beta-damasconeFL/FR
(Z)-beta-damasconeFL/FR
beta-damasconeFL/FR
(R)-gamma-dodecalactoneFL/FR
 eriocephalus punctulatus flower oilFR
2-ethyl-4-methyl-1,3-oxathiane 
 ginseneFR
 linalool oxide acetatesFL/FR
3-mercaptohexyl acetateFL/FR
 methyl bicycloheptenyl methyloxirane carboxylateFR
 methyl isobutyrateFL/FR
(E)-7-methyl-3-octen-2-oneFL/FR
(±)-3-methyl-gamma-decalactoneFL/FR
 myrasconeFR
2-nonanone propylene glycol acetalFL/FR
alpha-ocimeneFL/FR
 peach nitrileFR
 plum damascone (high alpha)FR
 sambucus canadensis fruit absoluteFL/FR
 strawberry glycidate 1 (aldehyde C-16 (so-called))FL/FR
(R)-styralyl acetateFL/FR
4-(para-tolyl)-2-butanoneFL/FR
cis-woody acetateFR
green
isoamyl 3-(2-furan) propionateFL/FR
1-(octahydro-4,7-methanoinden-5-yl)-propan-2-ol 
1-[(3aS,7aR)-3a,4,7,7a-tetrahydro-1H-inden-6-yl]ethanoneFR
herbal
 chamomile isobutyrateFR
 chamomile propionateFR
 geranium cyclohexaneFR
 methyl cyclogeranate (Firmenich)FR
 tagete oil madagascarFL/FR
minty
 ethyl benzoateFL/FR
powdery
alpha-methyl iononeFL/FR
(E)-alpha-methyl ionone (74-80%)FL/FR
spicy
 honey extractCS
 spicy acetoacetateFL/FR
tropical
 triflaige A (ZEON)FR
waxy
 dihydrocitronellyl acetateFL/FR
(E)-methyl geranateFL/FR
 phytyl acetateFL/FR
woody
2-decalinyl acetateFR
 melozol acetateFR
 rhubarb oxiraneFR
 
For Flavor
 
No flavor group found for these
1-acetyl cyclohexyl acetateFL
isoamyl angelateFL/FR
 benzyl valerateFL/FR
 butyl 2-naphthyl etherFL/FR
2-butyl thiopheneFL
3-cyclohexyl propyl acetate 
 dihydrocitronellyl acetateFL/FR
2,6-dimethyl-2,18-nonadecadien-8-one 
S-(2,5-dimethyl-3-furyl) ethane thioateFL
(R)-gamma-dodecalactoneFL/FR
 ethyl 3-hydroxyoctanoateFL
 ethyl ethyl anthranilateFL/FR
2-ethyl-4-methyl-1,3-oxathiane 
4-hydroxyphenethyl alcoholFL
 ionone mixed isomersFL/FR
 linalool oxide acetatesFL/FR
 magnolia flower oil CO2 extractFL/FR
 methyl benzyl acetate (mixed ortho-,meta-,para-)FL/FR
(E)-methyl geranateFL/FR
2-nonanone propylene glycol acetalFL/FR
alpha-ocimeneFL/FR
1-(octahydro-4,7-methanoinden-5-yl)-propan-2-ol 
1-(octahydro-4,7-methanoinden-5-yl)-propan-2-one + 1-(6-methyloctahydro-4,7-methanoinden-5-yl)-ethanone 
1-phenyl propyl butyrateFL/FR
2-phenyl propyl isobutyrateFL/FR
 phytyl acetateFL/FR
isopropyl benzoateFL/FR
(R)-styralyl acetateFL/FR
 vitispiraneFL
isoamyl 3-(2-furan) propionateFL/FR
 benzyl acetoacetateFL/FR
isobutyl furyl propionateFL/FR
beta-damasconeFL/FR
burnt
 ethyl 2-furoateFL
citrus
 petitgrain mandarin oilFL/FR
 styralyl propionateFL/FR
ethereal
 methyl isobutyrateFL/FR
fatty
 methyl decanoateFL/FR
(E)-7-methyl-3-octen-2-oneFL/FR
floral
(S)-citronellyl acetateFL/FR
 citronellyl hexanoateFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
 geraniolFL/FR
 geranyl isobutyrateFL/FR
 linalyl butyrateFL/FR
2-methyl butyl 3-methyl butenoateFL
(E)-alpha-methyl ionone (74-80%)FL/FR
alpha-isomethyl ionone (90% min.)FL/FR
 orris rhizome concrete butter (iris pallida)FL/FR
 rhodinyl butyrateFL/FR
 apricot essenceFL/FR
 benzyl acetateFL/FR
 benzyl isobutyrateFL/FR
 benzyl propionateFL/FR
 citronellyl butyrateFL/FR
 citronellyl isobutyrateFL/FR
(E)-beta-damasconeFL/FR
(Z)-beta-damasconeFL/FR
 ethyl anthranilateFL/FR
2-heptanolFL/FR
2-hexyl-4-acetoxytetrahydrofuranFL
 methoxymelonalFL/FR
para-methyl benzyl acetateFL/FR
alpha-methyl iononeFL/FR
3-nonanon-1-yl acetateFL/FR
 osmanthus concreteFL/FR
 phenethyl isovalerateFL/FR
 sambucus canadensis fruit absoluteFL/FR
 star fruit oil cubaFL/FR
 strawberry glycidate 1 (aldehyde C-16 (so-called))FL/FR
 tagete oil madagascarFL/FR
 terpinyl valerateFL/FR
4-(para-tolyl)-2-butanoneFL/FR
green
(E)-citronellyl tiglateFL/FR
isojasmoneFL/FR
honey
 phenethyl isobutyrateFL/FR
medicinal
 ethyl benzoateFL/FR
spicy
 cinnamyl formateFL/FR
 spicy acetoacetateFL/FR
tropical
3-mercaptohexyl acetateFL/FR
waxy
 butyl undecylenateFL/FR
(±)-3-methyl-gamma-decalactoneFL/FR
4-phenyl-3-buten-2-olFL/FR
woody
 methyl ionyl acetateFL/FR
 
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Potential Uses:
 jasminFL
 lilacFR
 tuberoseFR
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
 acetic acid 2-methyl phenyl ester
 acetic acid 2-methylphenyl ester
 acetic acid 2-tolyl ester
 acetic acid o-tolyl ester
 acetic acid ortho-tolyl ester
 acetic acid, 2-methylphenyl ester
2-acetoxytoluene
 acetyl o-cresol
 acetyl ortho-cresol
o-cresol acetate
ortho-cresol acetate
o-cresyl acetate
o-cresylic acetate
ortho-cresylic acetate
2-methyl phenyl acetate
(2-methyl phenyl) acetate
2-methyl phenylacetate
2-methylphenyl acetate
(2-methylphenyl) acetate
2-methylphenylacetat
o-tolyl acetate
ortho-tolyl acetate
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