2-(5-isopropyl-2-methyltetrahydro-2-thiophenyl)ethyl acetate
tetrahydro-2-methyl-5-(1-methylethyl)-2-thiopheneethanol acetate
 
Notes:
None found
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CAS Number: 1658479-63-0Picture of molecule3D/inchi
FDA UNII: 48ER97K3ZJ
XlogP3-AA: 3.30 (est)
Molecular Weight: 230.37074000
Formula: C12 H22 O2 S
NMR Predictor: Predict (works with chrome or firefox)
Category: flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
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NCBI: Search
FEMA Number: 4824 2-(5-isopropyl-2-methyl-tetrahydro-thiophen-2-yl)-ethyl acetate
FDA:No longer provide for the use of these seven synthetic flavoring substances
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Physical Properties:
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Soluble in:
 water, 11.22 mg/L @ 25 °C (est)
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Organoleptic Properties:
 
Odor Type: tropical
 
Odor Strength: high ,
recommend smelling in a 1.00 % solution or less
 
 tropical  strawberry  pepper bell pepper  
Odor Description:
at 1.00 % in propylene glycol. 
tropical strawberry bell pepper
 
 
Flavor Type: green
 
 green  strawberry  jammy  tropical  
Taste Description:
green cooked strawberry tropical
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the CSA
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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: flavoring agents
Recommendation for 2-(5-isopropyl-2-methyltetrahydro-2-thiophenyl)ethyl acetate usage levels up to:
 not for fragrance use.
 
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: 28
Click here to view publication 28
 average usual ppmaverage maximum ppm
baked goods: 0.300001.00000
beverages(nonalcoholic): 0.100000.50000
beverages(alcoholic): 0.300002.00000
breakfast cereal: 0.300001.00000
cheese: --
chewing gum: 1.000005.00000
condiments / relishes: --
confectionery froastings: 0.500002.00000
egg products: --
fats / oils: 0.300001.00000
fish products: --
frozen dairy: 0.100000.50000
fruit ices: 0.100000.50000
gelatins / puddings: 0.100000.50000
granulated sugar: --
gravies: --
hard candy: 0.500002.00000
imitation dairy: --
instant coffee / tea: 0.200001.00000
jams / jellies: 0.300001.00000
meat products: --
milk products: 0.100000.50000
nut products: --
other grains: --
poultry: --
processed fruits: 0.100000.50000
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 0.100000.50000
snack foods: 0.100000.50000
soft candy: 0.500002.00000
soups: --
sugar substitutes: --
sweet sauces: --
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Safety References:
EPI System: View
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 118437152
National Institute of Allergy and Infectious Diseases: Data
 2-(5-isopropyl-2-methyltetrahydro-2-thiophenyl)ethyl acetate
Chemidplus: 1658479630
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References:
 2-(5-isopropyl-2-methyltetrahydro-2-thiophenyl)ethyl acetate
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 118437152
Pubchem (cas): 1658479-63-0
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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
HMDB (The Human Metabolome Database): Search
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
caramellic
 ethyl maltolFL/FR
floral
beta-ironeFL/FR
fruity
 octyl propionateFL/FR
 
For Flavor
 
caramellic
 ethyl maltolFL/FR
creamy
2-methyl-4-pentenoic acidFL
estery
 octyl propionateFL/FR
floral
beta-ironeFL/FR
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
2-(2-methyl-5-propan-2-ylthiolan-2-yl)ethyl acetate
2-(5-isopropyl-2-methyl-tetrahydro-thiophen-2-yl)-ethyl acetate
 tetrahydro-2-methyl-5-(1-methylethyl)-2-thiopheneethanol acetate
2-thiopheneethanol, tetrahydro-2-methyl-5-(1-methylethyl)-, acetate
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