isospirene
1-oxaspiro[4.5]deca-3,6-diene, 2,6,9,10-tetramethyl-
 
Notes:
Fragrance ingredient with a blackcurrant-like aroma
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CAS Number: 71078-31-4Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 275-181-4
Nikkaji Web: J308.708E
XlogP3-AA: 2.90 (est)
Molecular Weight: 192.30160000
Formula: C13 H20 O
NMR Predictor: Predict (works with chrome or firefox)
Category: fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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Physical Properties:
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 258.00 to  260.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 0.021000 mmHg @ 25.00 °C. (est)
Flash Point: 225.00 °F. TCC ( 106.90 °C. ) (est)
logP (o/w): 3.981 (est)
Soluble in:
 alcohol
 water, 6.365 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: fruity
 
Odor Strength: high ,
recommend smelling in a 10.00 % solution or less
 
 currant black currant  berry  
Odor Description:
at 10.00 % in dipropylene glycol. 
black currant
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
 None found
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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: fragrance agents
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
 
Recommendation for isospirene flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
EPA Substance Registry Services (TSCA): 71078-31-4
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 116740
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 2
 3,6,7,10-tetramethyl-4-oxaspiro[4.5]deca-1,9-diene
Chemidplus: 0071078314
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References:
 3,6,7,10-tetramethyl-4-oxaspiro[4.5]deca-1,9-diene
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 71078-31-4
Pubchem (cid): 116740
Pubchem (sid): 135071482
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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): HMDB36022
FooDB: FDB014840
ChemSpider: View
Wikipedia: View
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Potential Blenders and core components note
 
For Odor
balsamic
 pine needle absoluteFL/FR
berry
 blackberry infusionsFL/FR
 blackberry specialtyFR
 blueberry fragranceFR
 blueberry infusionsFL/FR
 currant fragranceFR
black currant fragranceFR
black currant infusionsFL/FR
 gooseberry fragranceFR
 huckleberry fragranceFR
 methyl beta-ionyl acetateFR
 raspberry essenceFL/FR
 raspberry fragranceFR
black raspberry fragranceFR
 raspberry infusionsFL/FR
 rubus fruticosus fruit extractFL/FR
camphoreous
3-benzylidene-2-butanoneFL/FR
beta-homocyclocitralFL/FR
ethereal
 propyl formateFL/FR
fermented
 valeraldehydeFL/FR
floral
 dihydro-alpha-iononeFL/FR
beta-iononeFL/FR
 rose carboxylateFR
fruity
 artemisia pallens herb oilFL/FR
3-benzyl-4-heptanoneFL/FR
 berry pentadienoateFL/FR
 blueberry essenceFL/FR
 boysenberry essenceFL/FR
 butyl hexanoateFL/FR
black currant essenceFL/FR
red currant essenceFL/FR
 cyclohexyl isovalerateFL/FR
 davana oil CO2 extractFL/FR
 dihydroactinidolideFL/FR
 etaspireneFR
 ethyl (R)-2-hydroxy-4-methyl pentanoateFR
 ethyl (S)-2-hydroxy-4-methyl pentanoateFR
 ethyl methyl-para-tolyl glycidateFL/FR
 filbert hexenoneFL/FR
 fruit specialtyFR
 heliotropyl isobutyrateFL/FR
beta-ionone epoxideFL/FR
 maltyl butyrateFL/FR
 methyl 2-methyl valerateFL/FR
2-methyl butyl 2-methyl butyrateFL/FR
3-nonen-2-oneFL/FR
black raspberry essenceFL/FR
red raspberry essenceFL/FR
 raspberry fruit oilFR
 ribes nigrum fruit extractFL/FR
 ribes rubrum fruit extractFL/FR
 strawberry glycidate 2FL/FR
 strawberry infusionFL/FR
 styralyl butyrateFL/FR
green
 thiogeraniolFL/FR
herbal
 barosma betulina leaf oilFL/FR
mentholic
 menthyl acetate racemicFL/FR
soapy
 ambrettolideFL/FR
spicy
black currant bud absoluteFL/FR
sulfurous
 blackberry thiophenoneFL/FR
waxy
(E)-2-octen-1-yl butyrateFL/FR
 
For Flavor
 
No flavor group found for these
3-benzylidene-2-butanoneFL/FR
 blackberry thiophenoneFL/FR
 dihydroactinidolideFL/FR
beta-ionone epoxideFL/FR
 menthyl acetate racemicFL/FR
(E)-2-octen-1-yl butyrateFL/FR
 pine needle absoluteFL/FR
berry
 blackberry infusionsFL/FR
 blueberry essenceFL/FR
 blueberry infusionsFL/FR
black currant infusionsFL/FR
 dihydro-alpha-iononeFL/FR
 maltyl butyrateFL/FR
 raspberry essenceFL/FR
 raspberry infusionsFL/FR
 rubus fruticosus fruit extractFL/FR
cooling
beta-homocyclocitralFL/FR
fruity
 artemisia pallens herb oilFL/FR
3-benzyl-4-heptanoneFL/FR
 berry pentadienoateFL/FR
 boysenberry essenceFL/FR
 butyl hexanoateFL/FR
red currant essenceFL/FR
black currant essenceFL/FR
 cyclohexyl isovalerateFL/FR
 davana oil CO2 extractFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
 filbert hexenoneFL/FR
 heliotropyl isobutyrateFL/FR
 methyl 2-methyl valerateFL/FR
2-methyl butyl 2-methyl butyrateFL/FR
 propyl formateFL/FR
red raspberry essenceFL/FR
black raspberry essenceFL/FR
 ribes nigrum fruit extractFL/FR
 ribes rubrum fruit extractFL/FR
 strawberry glycidate 2FL/FR
 strawberry infusionFL/FR
 styralyl butyrateFL/FR
green
 thiogeraniolFL/FR
herbal
 barosma betulina leaf oilFL/FR
oily
3-nonen-2-oneFL/FR
soapy
 ambrettolideFL/FR
spicy
black currant bud absoluteFL/FR
winey
 valeraldehydeFL/FR
woody
beta-iononeFL/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:
1-oxaspiro(4.5)deca-3,6-diene, 2,6,9,10-tetramethyl-
1-oxaspiro[4.5]deca-3,6-diene, 2,6,9,10-tetramethyl-
2,6,9,10-tetramethyl-1-oxaspiro(4.5)deca-3,6-diene
2,6,9,10-tetramethyl-1-oxaspiro[4.5]deca-3,6-diene
3,6,7,10-tetramethyl-4-oxaspiro[4.5]deca-1,9-diene
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