vitispirane
1-oxaspiro[4.5]dec-7-ene, 2,10,10-trimethyl-6-methylene-
 
Notes:
Constit. of the juice of wine grape (Vitis vinifera)
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CAS Number: 65416-59-3Picture of molecule3D/inchi
Nikkaji Web: J20.178B
XlogP3-AA: 3.10 (est)
Molecular Weight: 192.30160000
Formula: C13 H20 O
NMR Predictor: Predict (works with chrome or firefox)
Category: flavoring 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
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Physical Properties:
Appearance: colorless to pale yellow solid (est)
Assay: 95.00 to 100.00 % sum of isomers
Food Chemicals Codex Listed: No
Melting Point: 49.00 °C. @ 760.00 mm Hg
Boiling Point: 258.00 to  259.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.022000 mmHg @ 25.00 °C. (est)
Flash Point: 224.00 °F. TCC ( 106.67 °C. )
logP (o/w): 3.619 (est)
Soluble in:
 alcohol
 water, 5.082 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: floral
 
Odor Strength: medium ,
recommend smelling in a 1.00 % solution or less
 
 floral  fruity  earthy  woody  
Odor Description:
at 1.00 % in propylene glycol. 
floral fruity earthy woody
 
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: flavoring agents
Recommendation for vitispirane usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.65 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 3200 (μg/person/day)
Threshold of Concern:90 (μg/person/day)
Structure Class: III
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 3.0000015.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 2.0000010.00000
Edible ices, including sherbet and sorbet (03.0): 3.0000015.00000
Processed fruit (04.1): 2.0000010.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 10.0000050.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 5.0000025.00000
Bakery wares (07.0): 10.0000050.00000
Meat and meat products, including poultry and game (08.0): 2.0000010.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 2.0000010.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 5.0000025.00000
Foodstuffs intended for particular nutritional uses (13.0): 10.0000050.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 3.0000015.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 10.0000050.00000
Ready-to-eat savouries (15.0): 15.0000075.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 5.0000025.00000
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Safety References:
European Food Safety Athority(efsa): Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
European Food Safety Authority (EFSA) reference(s):
Flavouring Group Evaluation 33 (FGE.33)[1] - Six Tetrahydrofuran Derivatives from Chemical Groups 13, 14, 16 and 26 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf
Flavouring Group Evaluation 75 (FGE.75)[1] - Consideration of tetrahydrofuran derivatives and a furanone derivative evaluated by JECFA (63rd meeting) structurally related to tetrahydrofuran derivatives evaluated by EFSA in FGE.33 (2008)
View page or View pdf
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 6450832
National Institute of Allergy and Infectious Diseases: Data
 2,6,6-trimethyl-10-methylidene-1-oxaspiro[4.5]dec-8-ene
Chemidplus: 0065416593
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References:
 2,6,6-trimethyl-10-methylidene-1-oxaspiro[4.5]dec-8-ene
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 6450832
Pubchem (sid): 135238554
Pherobase: View
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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): HMDB36818
FooDB: FDB015765
YMDB (Yeast Metabolome Database): YMDB01413
Typical G.C.
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Wikipedia: View
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Potential Blenders and core components note
 
For Odor
balsamic
isobornyl formateFL/FR
isobornyl isobutyrateFL/FR
 cinnamyl formateFL/FR
dextro-fenchoneFL/FR
 fir needle oil siberiaFL/FR
camphoreous
 fencholFL/FR
laevo-fenchoneFL/FR
citrus
(E+Z)-4,8-dimethyl-3,7-nonadien-2-yl acetateFL/FR
2-heptanolFL/FR
earthy
 methyl 3-hexenoateFL/FR
fatty
 butyl undecylenateFL/FR
fermented
 methyl decanoateFL/FR
isoamyl angelateFL/FR
 benzyl acetateFL/FR
 benzyl acetoacetateFL/FR
 benzyl isobutyrateFL/FR
 bois de rose oil terpenelessFL/FR
(S)-citronellyl acetateFL/FR
 citronellyl butyrateFL/FR
 citronellyl hexanoateFL/FR
(E)-citronellyl tiglateFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
 ethyl anthranilateFL/FR
 ethyl ethyl anthranilateFL/FR
 geraniolFL/FR
 geranyl isobutyrateFL/FR
 ionone mixed isomersFL/FR
isojasmoneFL/FR
 linalyl butyrateFL/FR
 magnolia flower oil CO2 extractFL/FR
 methoxymelonalFL/FR
para-methyl benzyl acetateFL/FR
 methyl benzyl acetate (mixed ortho-,meta-,para-)FL/FR
alpha-isomethyl ionone (90% min.)FL/FR
 methyl ionyl acetateFL/FR
3-nonanon-1-yl acetateFL/FR
 orris rhizome concrete butter (iris pallida)FL/FR
 osmanthus concreteFL/FR
 petitgrain mandarin oilFL/FR
 phenethyl isobutyrateFL/FR
 phenethyl isovalerateFL/FR
1-phenyl propyl butyrateFL/FR
2-phenyl propyl isobutyrateFL/FR
4-phenyl-3-buten-2-olFL/FR
isopropyl benzoateFL/FR
 rhodinyl butyrateFL/FR
 star fruit oil cubaFL/FR
 styralyl propionateFL/FR
 terpinyl valerateFL/FR
fruity
 apricot essenceFL/FR
 benzyl propionateFL/FR
 benzyl valerateFL/FR
 butyl 2-naphthyl etherFL/FR
isobutyl furyl propionateFL/FR
 butyl propionateFL/FR
 citronellyl isobutyrateFL/FR
(Z)-beta-damasconeFL/FR
beta-damasconeFL/FR
(E)-beta-damasconeFL/FR
(R)-gamma-dodecalactoneFL/FR
 linalool oxide acetatesFL/FR
3-mercaptohexyl acetateFL/FR
 methyl isobutyrateFL/FR
(E)-7-methyl-3-octen-2-oneFL/FR
(±)-3-methyl-gamma-decalactoneFL/FR
2-nonanone propylene glycol acetalFL/FR
alpha-ocimeneFL/FR
 sambucus canadensis fruit absoluteFL/FR
 strawberry glycidate 1 (aldehyde C-16 (so-called))FL/FR
(R)-styralyl acetateFL/FR
4-(para-tolyl)-2-butanoneFL/FR
green
isoamyl 3-(2-furan) propionateFL/FR
isocyclocitral (IFF)FL/FR
 galbanum absoluteFL/FR
herbal
 tagete oil madagascarFL/FR
medicinal
ortho-cresyl acetateFL/FR
nutty
2-methyl-3-ethoxypyrazineFL/FR
powdery
alpha-methyl iononeFL/FR
(E)-alpha-methyl ionone (74-80%)FL/FR
spicy
4-carvomenthenolFL/FR
 ginger root oil chinaFL/FR
 spicy acetoacetateFL/FR
waxy
 dihydrocitronellyl acetateFL/FR
(E)-methyl geranateFL/FR
 phytyl acetateFL/FR
woody
beta-caryophyllene alcohol acetateFL/FR
 dihydro-beta-iononeFL/FR
 dihydro-gamma-iononeFL/FR
terpeneless patchouli oilFL/FR
 patchouli oil chinaFL/FR
beta-terpineolFL/FR
1,3,5,7-undecatetraeneFL/FR
 vetiver oil CO2 extractFL/FR
 vetiver oil haitiFL/FR
 vetiveria zizanioides root oilFL/FR
 
For Flavor
 
No flavor group found for these
1-acetyl cyclohexyl acetateFL
isoamyl angelateFL/FR
 benzyl valerateFL/FR
 butyl 2-naphthyl etherFL/FR
2-butyl thiopheneFL
beta-caryophyllene alcohol acetateFL/FR
ortho-cresyl acetateFL/FR
 dihydro-gamma-iononeFL/FR
 dihydrocitronellyl acetateFL/FR
S-(2,5-dimethyl-3-furyl) ethane thioateFL
(E+Z)-4,8-dimethyl-3,7-nonadien-2-yl acetateFL/FR
(R)-gamma-dodecalactoneFL/FR
 ethyl 3-hydroxyoctanoateFL
 ethyl ethyl anthranilateFL/FR
 furfural diethyl acetalFL
4-hydroxyphenethyl alcoholFL
 ionone mixed isomersFL/FR
 linalool oxide acetatesFL/FR
 magnolia flower oil CO2 extractFL/FR
 methyl benzyl acetate (mixed ortho-,meta-,para-)FL/FR
(E)-methyl geranateFL/FR
2-methyl-3-ethoxypyrazineFL/FR
2-nonanone propylene glycol acetalFL/FR
alpha-ocimeneFL/FR
1-phenyl propyl butyrateFL/FR
2-phenyl propyl isobutyrateFL/FR
 phytyl acetateFL/FR
isopropyl benzoateFL/FR
3-propyl pyridineFL
(R)-styralyl acetateFL/FR
beta-terpineolFL/FR
1,3,5,7-undecatetraeneFL/FR
isoamyl 3-(2-furan) propionateFL/FR
 benzyl acetoacetateFL/FR
isobutyl furyl propionateFL/FR
beta-damasconeFL/FR
balsamic
isobornyl isobutyrateFL/FR
 fir needle oil siberiaFL/FR
burnt
 ethyl 2-furoateFL
camphoreous
 fencholFL/FR
laevo-fenchoneFL/FR
citrus
 petitgrain mandarin oilFL/FR
 styralyl propionateFL/FR
coffee
 methyl furfuryl mercaptopropionateFL
cooling
4-carvomenthenolFL/FR
dextro-fenchoneFL/FR
ethereal
 methyl isobutyrateFL/FR
fatty
 methyl decanoateFL/FR
(E)-7-methyl-3-octen-2-oneFL/FR
floral
 bois de rose oil terpenelessFL/FR
(S)-citronellyl acetateFL/FR
 citronellyl hexanoateFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
 geraniolFL/FR
 geranyl isobutyrateFL/FR
 linalyl butyrateFL/FR
2-methyl butyl 3-methyl butenoateFL
(E)-alpha-methyl ionone (74-80%)FL/FR
alpha-isomethyl ionone (90% min.)FL/FR
 orris rhizome concrete butter (iris pallida)FL/FR
 rhodinyl butyrateFL/FR
fruity
 apricot essenceFL/FR
 benzyl acetateFL/FR
 benzyl isobutyrateFL/FR
 benzyl propionateFL/FR
 butyl propionateFL/FR
 citronellyl butyrateFL/FR
 citronellyl isobutyrateFL/FR
(Z)-beta-damasconeFL/FR
(E)-beta-damasconeFL/FR
 ethyl anthranilateFL/FR
2-heptanolFL/FR
2-hexyl-4-acetoxytetrahydrofuranFL
 methoxymelonalFL/FR
 methyl 3-hexenoateFL/FR
para-methyl benzyl acetateFL/FR
alpha-methyl iononeFL/FR
3-nonanon-1-yl acetateFL/FR
 osmanthus concreteFL/FR
 phenethyl isovalerateFL/FR
 sambucus canadensis fruit absoluteFL/FR
 star fruit oil cubaFL/FR
 strawberry glycidate 1 (aldehyde C-16 (so-called))FL/FR
 tagete oil madagascarFL/FR
 terpinyl valerateFL/FR
4-(para-tolyl)-2-butanoneFL/FR
green
(E)-citronellyl tiglateFL/FR
isocyclocitral (IFF)FL/FR
 galbanum absoluteFL/FR
isojasmoneFL/FR
honey
 phenethyl isobutyrateFL/FR
spicy
 cinnamyl formateFL/FR
 ginger root oil chinaFL/FR
 spicy acetoacetateFL/FR
 turmeric oleoresinFL
tropical
3-mercaptohexyl acetateFL/FR
waxy
 butyl undecylenateFL/FR
(±)-3-methyl-gamma-decalactoneFL/FR
4-phenyl-3-buten-2-olFL/FR
woody
isobornyl formateFL/FR
 dihydro-beta-iononeFL/FR
 methyl ionyl acetateFL/FR
terpeneless patchouli oilFL/FR
 patchouli oil chinaFL/FR
 vetiver oil CO2 extractFL/FR
 vetiver oil haitiFL/FR
 vetiveria zizanioides root oilFL/FR
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 grape plant
Search Trop  Picture
 grapefruit juice - 0.0006 mg/kg
Search Trop  Picture
 vanilla
Search  Picture
 wine port wine - up to 2 mg/kg
Search  Picture
 wine red wine - up to 0.11 mg/kg
Search  Picture
 wine white wine - up to 0.32 mg/kg
Search  Picture
 witch hazel leaf oil @ 0.09%
Data  GC  Search Trop  Picture
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Synonyms:
6-methylene-2,10,10-trimethyl-1-oxaspiro(4.5)dec-7-ene
6-methylene-2,10,10-trimethyl-1-oxaspiro[4.5]dec-7-ene
1-oxaspiro[4.5]dec-7-ene, 2,10,10-trimethyl-6-methylene-
2,6,6-trimethyl-10-methylidene-1-oxaspiro[4.5]dec-8-ene
2,10,10-trimethyl-6-methylene-1-oxaspiro(4.5)dec-7-ene
2,10,10-trimethyl-6-methylidene-1-oxaspiro[4.5]dec-7-ene
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Articles:
PubMed: Enantioselective high performance liquid chromatography and supercritical fluid chromatography separation of spirocyclic terpenoid flavor compounds.
PubMed: Pinot Noir wine composition from different vine vigour zones classified by remote imaging technology.
PubMed: Timing of cluster light environment manipulation during grape development affects C13 norisoprenoid and carotenoid concentrations in Riesling.
PubMed: Effect of freeze-drying and oven-drying on volatiles and phenolics composition of grape skin.
PubMed: Rapid tool for assessment of C13 norisoprenoids in wines.
PubMed: Carotenoid breakdown products the-norisoprenoids-in wine aroma.
PubMed: Syntheses of Theaspirone and Vitispirane via Palladium(II)-Catalyzed Oxaspirocyclization.
PubMed: Composition of essential oil of Ledum palustre.
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