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2,2,6,7-tetramethyl bicyclo(4.3.0)nona-4,9(1)-dien-8-ol
2,2,6,7-tetramethylbicyclo[4.3.0]nona-4,9(1)-dien-8-ol

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Name:1,4,4,7a-tetramethyl-2,5-dihydro-1H-inden-2-ol
CAS Number: 97866-86-9Picture of molecule3D/inchi
FDA UNII: Search
Nikkaji Web:J2.372.574F
XlogP3-AA:2.90 (est)
Molecular Weight:192.30160000
Formula:C13 H20 O
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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JECFA Food Flavoring:2198 2,2,6,7-tetramethylbicyclo[4.3.0]nona-4,9(1)-dien-8-ol
FEMA Number:4521 2,2,6,7-tetramethylbicyclo[4.3.0]nona-4,9(1)-dien-8-ol
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):97866-86-9 ; 2,2,6,7-TETRAMETHYLBICYCLO[4.3.0]NONA-4,9(1)-DIEN-8-OL
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 98.90 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.93600 to 0.94300 @ 25.00 °C.
Pounds per Gallon - (est).: 7.788 to 7.847
Refractive Index:1.44700 to 1.45300 @ 20.00 °C.
Boiling Point: 281.00 to 282.00 °C. @ 760.00 mm Hg (est)
Acid Value: 1.00 max. KOH/g
Vapor Pressure:0.000432 mmHg @ 25.00 °C. (est)
Flash Point: 237.00 °F. TCC ( 113.90 °C. ) (est)
logP (o/w): 3.600 (est)
Soluble in:
 water, 128.2 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor Description:fruity
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Parchem
2,2,6,7-tetramethyl bicyclo(4.3.0)nona-4,9(1)-dien-8-ol
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:
flavoring agents
Recommendation for 2,2,6,7-tetramethyl bicyclo(4.3.0)nona-4,9(1)-dien-8-ol 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: 24
Click here to view publication 24
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): 1.000005.00000
beverages(alcoholic): 2.0000010.00000
breakfast cereal: --
cheese: --
chewing gum: 10.0000050.00000
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: 5.0000025.00000
meat products: --
milk products: 2.0000010.00000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --
 
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 :66963592
National Institute of Allergy and Infectious Diseases:Data
1,4,4,7a-tetramethyl-2,5-dihydro-1H-inden-2-ol
 
References:
 1,4,4,7a-tetramethyl-2,5-dihydro-1H-inden-2-ol
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):66963592
Pubchem (sid):316605059
 
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):Search
VCF-Online:VCF Volatile Compounds in Food
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 nectarine
Search PMC Picture
 quince fruit
Search Trop Picture
 
Synonyms:
1,4,4,7a-tetramethyl-2,5-dihydro-1H-inden-2-ol
(3aR)-3,3a,7,7-tetramethyl-4,5,6,7-tetrahydro-3aH-inden-4-ol
2,2,6,7-tetramethylbicyclo(4.3.0)nona-4,9(1)-dien-8-ol
2,2,6,7-tetramethylbicyclo[4.3.0]nona-4,9(1)-dien-8-ol
 
 
Notes:
Cydonia oblonga (quince) by Ishihara etal, J. Org. Chem., 1986, 51, 491-495
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