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

cassyrane
5-tert-butyl-2-methyl-5-propyl-2H-furan

Supplier Sponsors

Name:5-tert-butyl-2-methyl-5-propyl-2H-furan
CAS Number: 871465-49-5Picture of molecule3D/inchi
Nikkaji Web:J2.243.533G
XlogP3-AA:3.50 (est)
Molecular Weight:182.30654000
Formula:C12 H22 O
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
Racemate
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
PubMed:Search
NCBI:Search
JECFA Food Flavoring:2189 cassyrane
FEMA Number:4731 cassyrane
FDA:No longer provide for the use of these seven synthetic flavoring substances
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.86800 to 0.87200 @ 25.00 °C.
Pounds per Gallon - (est).: 7.223 to 7.256
Refractive Index:1.44800 to 1.45200 @ 20.00 °C.
Boiling Point: 217.00 to 218.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.196000 mm/Hg @ 25.00 °C. (est)
Flash Point: 177.00 °F. TCC ( 80.30 °C. ) (est)
logP (o/w): 3.874 (est)
Soluble in:
 alcohol
 water, 10.25 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor Type: fruity
Odor Strength:high
currant black currant natural eucalyptus anise buchu leafy green
Odor Description:at 10.00 % in dipropylene glycol. blackcurrant, natural, rich, eucalyptus buds, anise, buchu leaves, slightly green
Flavor Type: fruity
currant black currant fruity
Taste Description: currant black currant
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
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
 
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: 26
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: 50.00000500.00000
condiments / relishes: --
confectionery froastings: 10.0000050.00000
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 10.0000050.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: 10.0000020.00000
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: --
 
Safety References:
EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :11658397
National Institute of Allergy and Infectious Diseases:Data
5-tert-butyl-2-methyl-5-propyl-2H-furan
 
References:
Leffingwell:Chirality or Article
 5-tert-butyl-2-methyl-5-propyl-2H-furan
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):11658397
Pubchem (sid):152711732
 
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
HMDB (The Human Metabolome Database):Search
ChemSpider:View
Wikipedia:View
RSC Learn Chemistry:View
EFSA Update of results on the monitoring of furan levels in food:Read Report
EFSA Previous report: Results on the monitoring of furan levels in food:Read Report
EFSA Report of the CONTAM Panel on provisional findings on furan in food:Read Report
 
Potential Blenders and core components note
For Odor
balsamic
scotch
pine wood/needles resinoid
FR
berry
blackberry specialty
FR
black
currant fragrance
FR
black
currant infusions
FL/FR
citrus
pamplemousse specialty
FR
floral
boronia absolute
FL/FR
citronellyl isovalerate
FL/FR
delta-
damascone
FL/FR
heliotropyl acetone
FL/FR
fruity
artemisia pallens herb oil
FL/FR
blackberry fragrance
FR
2-tert-
butyl-5-methyl-2-propyl tetrahydrofuran
FR
black
currant essence
FL/FR
beta-
damascone
FL/FR
(E)-alpha-
damascone
FL/FR
(E)-beta-
damascone
FL/FR
(Z)-beta-
damascone
FL/FR
davana oil CO2 extract
FL/FR
davana oil replacer
FR
etaspirene
FR
4-
ethyl benzaldehyde
FL/FR
fruit specialty
FR
herbanate (Givaudan)
FR
ribes nigrum fruit extract
FL/FR
iso
spirene
FR
green
iso
amyl formate
FL/FR
herbal
methyl ortho-anisate
FL/FR
minty
(R)-(+)-
pulegone
FR
sulfurous
blackberry thiophenone
FL/FR
4-
methoxy-2-methyl butane thiol
FL/FR
O-
methyl S-1-methoxyhexan-3-yl carbonothioate
FL/FR
For Flavor
No flavor group found for these
blackberry thiophenone
FL/FR
citronellyl isovalerate
FL/FR
4-
ethyl benzaldehyde
FL/FR
methyl ortho-anisate
FL/FR
beta-
damascone
FL/FR
berry
berry
marion
berry flavor
FL
blackberry flavor
FL
black
currant flavor
FL
black
currant infusions
FL/FR
black
currant juice concentrate
FL
heliotropyl acetone
FL/FR
fruity
artemisia pallens herb oil
FL/FR
boronia absolute
FL/FR
cherry black currant flavor
FL
black
currant essence
FL/FR
(E)-alpha-
damascone
FL/FR
(E)-beta-
damascone
FL/FR
(Z)-beta-
damascone
FL/FR
davana oil CO2 extract
FL/FR
ribes nigrum fruit extract
FL/FR
ribes nigrum fruit juice
FL
green
iso
amyl formate
FL/FR
roasted
O-
methyl S-1-methoxyhexan-3-yl carbonothioate
FL/FR
sulfurous
4-
methoxy-2-methyl butane thiol
FL/FR
woody
delta-
damascone
FL/FR
 
Potential Uses:
 currant black currant
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
5-tert-butyl-2-methyl-5-propyl-2H-furan
2-tert-butyl-5-methyl-2-propyl-2,5-dihydrofuran
2-(tert-butyl)-5-methyl-2-propyl-2,5-dihydrofuran
(±)-cis and trans-2-(1,1-dimethylethyl)-2,5-dihydro-5-methyl-2-propylfuran
5-methyl-2-(2-methyl-2-propanyl)-2-propyl-2,5-dihydrofuran
 
 
Notes:
None found
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