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thymyl acetate
phenol, 5-methyl-2-(1-methylethyl)-, acetate

Supplier Sponsors

Name:(5-methyl-2-propan-2-ylphenyl) acetate
CAS Number: 528-79-0Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:208-442-8
FDA UNII:6I29126I5V
Nikkaji Web:J6.677J
CoE Number:2308
XlogP3:3.00 (est)
Molecular Weight:192.25792000
Formula:C12 H16 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
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
FLAVIS Number:09.253 (Old)
DG SANTE Food Flavourings:09.253 2-isopropyl-5-methylphenyl acetate
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Refractive Index:1.53100 to 1.53700 @ 20.00 °C.
Melting Point: 28.00 to 30.00 °C. @ 760.00 mm Hg
Boiling Point: 241.00 to 243.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.029000 mm/Hg @ 25.00 °C. (est)
Flash Point: 202.00 °F. TCC ( 94.44 °C. )
logP (o/w): 3.031 (est)
Soluble in:
 alcohol
 water, 40.9 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
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.
Thymol Acetate
Ernesto Ventós
THYMYL ACETATE
Odor: THYMOL, SWEET, BALSAMIC
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
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
 
Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for thymyl acetate usage levels up to:
  1.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 1.10 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 420 (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): 0.500002.50000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 0.200001.00000
Edible ices, including sherbet and sorbet (03.0): 0.500002.50000
Processed fruit (04.1): 0.400002.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 1.000005.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 0.200001.00000
Bakery wares (07.0): 2.0000010.00000
Meat and meat products, including poultry and game (08.0): 0.200001.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 0.200001.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 0.300001.50000
Foodstuffs intended for particular nutritional uses (13.0): 0.500002.50000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 0.200001.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 1.000005.00000
Ready-to-eat savouries (15.0): 2.0000010.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 0.400002.00000
 
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) 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

Flavouring Group Evaluation 60 (FGE.60): Consideration of eugenol and related hydroxyallylbenzene derivatives evaluated by JECFA (65th meeting) structurally related to ring- substituted phenolic substances evaluated by EFSA in FGE.22 (2006)
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):528-79-0
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :68252
National Institute of Allergy and Infectious Diseases:Data
(5-methyl-2-propan-2-ylphenyl) acetate
Chemidplus:0000528790
 
References:
 (5-methyl-2-propan-2-ylphenyl) acetate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:528-79-0
Pubchem (cid):68252
Pubchem (sid):135026033
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
KEGG (GenomeNet):C09909
HMDB (The Human Metabolome Database):Search
FooDB:FDB014796
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 boldo leaf oil italy @ 0.03%
Data GC Search Trop Picture
 boldus leaf oil chile @ 0.01%
Data GC Search Trop Picture
 lippia aff. gracillis h.b.k. leaf oil brazil @ 0.40%
Data GC Search Trop Picture
 oregano shoot
Search Trop Picture
 thyme - less than 1000 mg/kg
Search Picture
 thyme plant
Search Trop Picture
 thymus richardii pers. subsp. nitidus (guss.) jalas oil italy @ trace%
Data GC Search Trop Picture
 
Synonyms:
 acetic acid thymyl ester
 acetyl thymol
5-methyl-2-(1-methyl ethyl) phenol acetate
5-methyl-2-(propan-2-yl)phenyl acetate
(5-methyl-2-propan-2-ylphenyl) acetate
 phenol, 5-methyl-2-(1-methylethyl)-, acetate
2-isopropyl-5-methyl phenyl acetate
2-isopropyl-5-methylphenyl acetate
 thymol acetate
 thymol, acetate
 thymyl acetate
 

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