EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

dehydrodihydroionol
4-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-2-butanol

Supplier Sponsors

Name:4-(2,6,6-trimethyl-1-cyclohexa-1,3-dienyl)butan-2-ol
CAS Number: 57069-86-0Picture of molecule3D/inchi
FDA UNII: VQS2EA7ID5
CoE Number:10195
XlogP3-AA:2.90 (est)
Molecular Weight:194.31754000
Formula:C13 H22 O
NMR Predictor:Predict (works with chrome, Edge or firefox)
EFSA/JECFA Comments:
At least 70%; secondary component 25-27% tetrahy­droionone. (JECFA)
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
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Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
JECFA Food Flavoring:397 dehydrodihydroionol
DG SANTE Food Flavourings:02.092 dehydrodihydroionol
FEMA Number:3446 dehydrodihydroionol
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):57069-86-0 ; DEHYDRODIHYDROIONOL
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 70.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.91800 to 0.92600 @ 25.00 °C.
Pounds per Gallon - (est).: 7.639 to 7.705
Refractive Index:1.48900 to 1.49600 @ 20.00 °C.
Boiling Point: 80.00 °C. @ 1.00 mm Hg
Boiling Point: 279.00 to 280.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.000480 mmHg @ 25.00 °C. (est)
Flash Point: 220.00 °F. TCC ( 104.44 °C. )
logP (o/w): 3.937 (est)
Soluble in:
 alcohol
 water, 16.29 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Axsyn
For experimental / research use only.
4-(2,6,6-trimethyl-1-cyclohexa-1,3-dienyl)butan-2-ol
BOC Sciences
For experimental / research use only.
1,3-Cyclohexadiene-1-propanol, .alpha.,2,6,6-tetramethyl-
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
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for dehydrodihydroionol usage levels up to:
  3.0000 % 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: 9
Click here to view publication 9
 average usual ppmaverage maximum ppm
baked goods: -2.00000
beverages(nonalcoholic): -0.01000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: -10.00000
condiments / relishes: --
confectionery froastings: -2.00000
egg products: --
fats / oils: --
fish products: --
frozen dairy: -0.02000
fruit ices: -0.02000
gelatins / puddings: -0.30000
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: -0.50000
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 :62126
National Institute of Allergy and Infectious Diseases:Data
4-(2,6,6-trimethyl-1-cyclohexa-1,3-dienyl)butan-2-ol
Chemidplus:0057069860
 
References:
 4-(2,6,6-trimethyl-1-cyclohexa-1,3-dienyl)butan-2-ol
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):62126
Pubchem (sid):135019828
 
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):HMDB36184
FooDB:FDB015038
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
FRraspberry
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
1,3-cyclohexadiene-1-propanol, a,2,6,6-tetramethyl-
alpha,2,6,6-tetramethyl-1,3-cyclohexadien-1-propanol
4-(2,6,6-trimethyl-1-cyclohexa-1,3-dienyl)butan-2-ol
4-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-2-butanol
 
 
Notes:
Flavouring ingredient used in artificial raspberry flavours
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