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vitispirane
1-oxaspiro[4.5]dec-7-ene, 2,10,10-trimethyl-6-methylene-

Supplier Sponsors

CAS Number:	65416-59-3	3D/inchi
FDA UNII:	V63S23G8VK
Nikkaji Web:	J20.178B
XlogP3-AA:	3.10 (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:

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

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

Organoleptic Properties:

Odor Type: floral

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).

Cosmetic Information:

None found

Suppliers:

None found

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 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/kg	maximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0):		3.00000	15.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0):		2.00000	10.00000
Edible ices, including sherbet and sorbet (03.0):		3.00000	15.00000
Processed fruit (04.1):		2.00000	10.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2):		-	-
Confectionery (05.0):		10.00000	50.00000
Chewing gum (05.3):		-	-
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0):		5.00000	25.00000
Bakery wares (07.0):		10.00000	50.00000
Meat and meat products, including poultry and game (08.0):		2.00000	10.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0):		2.00000	10.00000
Eggs and egg products (10.0):		-	-
Sweeteners, including honey (11.0):		-	-
Salts, spices, soups, sauces, salads, protein products, etc. (12.0):		5.00000	25.00000
Foodstuffs intended for particular nutritional uses (13.0):		10.00000	50.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1):		3.00000	15.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2):		10.00000	50.00000
Ready-to-eat savouries (15.0):		15.00000	75.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0):		5.00000	25.00000

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

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

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

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

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

Potential Blenders and core components note

For Odor

balsamic

iso

bornyl formate
FL/FR

iso

bornyl isobutyrate
FL/FR

cinnamyl formate
FL/FR

dextro-

fenchone
FL/FR

fir needle oil siberia
FL/FR

camphoreous

fenchol
FL/FR

laevo-

fenchone
FL/FR

citrus

(E+Z)-4,8-

dimethyl-3,7-nonadien-2-yl acetate
FL/FR

heptanol
FL/FR

earthy

methyl 3-hexenoate
FL/FR

fatty

butyl undecylenate
FL/FR

fermented

methyl decanoate
FL/FR

floral

iso

amyl angelate
FL/FR

benzyl acetate
FL/FR

benzyl acetoacetate
FL/FR

benzyl isobutyrate
FL/FR

bois de rose oil terpeneless
FL/FR

(S)-

citronellyl acetate
FL/FR

citronellyl butyrate
FL/FR

citronellyl hexanoate
FL/FR

(E)-

citronellyl tiglate
FL/FR

dimethyl benzyl carbinyl acetate
FL/FR

ethyl anthranilate
FL/FR

ethyl ethyl anthranilate
FL/FR

geraniol
FL/FR

geranyl isobutyrate
FL/FR

ionone mixed isomers
FL/FR

iso

jasmone
FL/FR

linalyl butyrate
FL/FR

magnolia flower oil CO2 extract
FL/FR

methoxymelonal
FL/FR

para-

methyl benzyl acetate
FL/FR

methyl benzyl acetate (mixed ortho-,meta-,para-)
FL/FR

alpha-iso

methyl ionone (90% min.)
FL/FR

methyl ionyl acetate
FL/FR

nonanon-1-yl acetate
FL/FR

orris rhizome concrete butter (iris pallida)
FL/FR

osmanthus concrete
FL/FR

petitgrain mandarin oil
FL/FR

phenethyl isobutyrate
FL/FR

phenethyl isovalerate
FL/FR

phenyl propyl butyrate
FL/FR

phenyl propyl isobutyrate
FL/FR

phenyl-3-buten-2-ol
FL/FR

iso

propyl benzoate
FL/FR

rhodinyl butyrate
FL/FR

star fruit oil cuba
FL/FR

styralyl propionate
FL/FR

terpinyl valerate
FL/FR

fruity

apricot essence
FL/FR

benzyl propionate
FL/FR

benzyl valerate
FL/FR

butyl 2-naphthyl ether
FL/FR

iso

butyl furyl propionate
FL/FR

butyl propionate
FL/FR

citronellyl isobutyrate
FL/FR

(E)-beta-

damascone
FL/FR

(Z)-beta-

damascone
FL/FR

beta-

damascone
FL/FR

(R)-gamma-

dodecalactone
FL/FR

linalool oxide acetates
FL/FR

mercaptohexyl acetate
FL/FR

methyl isobutyrate
FL/FR

(E)-7-

methyl-3-octen-2-one
FL/FR

(±)-3-

methyl-gamma-decalactone
FL/FR

nonanone propylene glycol acetal
FL/FR

alpha-

ocimene
FL/FR

sambucus canadensis fruit absolute
FL/FR

strawberry glycidate 1 (aldehyde C-16 (so-called))
FL/FR

(R)-

styralyl acetate
FL/FR

4-(para-

tolyl)-2-butanone
FL/FR

green

iso

amyl 3-(2-furan) propionate
FL/FR

iso

cyclocitral (IFF)
FL/FR

galbanum absolute
FL/FR

herbal

tagete oil madagascar
FL/FR

medicinal

ortho-

cresyl acetate
FL/FR

nutty

methyl-3-ethoxypyrazine
FL/FR

powdery

alpha-

methyl ionone
FL/FR

(E)-alpha-

methyl ionone (74-80%)
FL/FR

spicy

carvomenthenol
FL/FR

ginger root oil china
FL/FR

spicy acetoacetate
FL/FR

waxy

dihydrocitronellyl acetate
FL/FR

(E)-

methyl geranate
FL/FR

phytyl acetate
FL/FR

woody

beta-

caryophyllene alcohol acetate
FL/FR

dihydro-beta-ionone
FL/FR

dihydro-gamma-ionone
FL/FR

terpeneless

patchouli oil
FL/FR

patchouli oil china
FL/FR

beta-

terpineol
FL/FR

1,3,5,7-

undecatetraene
FL/FR

vetiver oil CO2 extract
FL/FR

vetiver oil haiti
FL/FR

vetiveria zizanioides root oil
FL/FR

For Flavor

No flavor group found for these

acetyl cyclohexyl acetate
FL

iso

amyl angelate
FL/FR

benzyl valerate
FL/FR

butyl 2-naphthyl ether
FL/FR

butyl thiophene
FL

beta-

caryophyllene alcohol acetate
FL/FR

ortho-

cresyl acetate
FL/FR

dihydro-gamma-ionone
FL/FR

dihydrocitronellyl acetate
FL/FR

S-(2,5-

dimethyl-3-furyl) ethane thioate
FL

(E+Z)-4,8-

dimethyl-3,7-nonadien-2-yl acetate
FL/FR

(R)-gamma-

dodecalactone
FL/FR

ethyl 3-hydroxyoctanoate
FL

ethyl ethyl anthranilate
FL/FR

furfural diethyl acetal
FL

hydroxyphenethyl alcohol
FL

ionone mixed isomers
FL/FR

linalool oxide acetates
FL/FR

magnolia flower oil CO2 extract
FL/FR

methyl benzyl acetate (mixed ortho-,meta-,para-)
FL/FR

(E)-

methyl geranate
FL/FR

methyl-3-ethoxypyrazine
FL/FR

nonanone propylene glycol acetal
FL/FR

alpha-

ocimene
FL/FR

phenyl propyl butyrate
FL/FR

phenyl propyl isobutyrate
FL/FR

iso

propyl benzoate
FL/FR

propyl pyridine
FL

(R)-

styralyl acetate
FL/FR

beta-

terpineol
FL/FR

1,3,5,7-

undecatetraene
FL/FR

iso

amyl 3-(2-furan) propionate
FL/FR

benzyl acetoacetate
FL/FR

iso

butyl furyl propionate
FL/FR

beta-

damascone
FL/FR

balsamic

iso

bornyl isobutyrate
FL/FR

fir needle oil siberia
FL/FR

burnt

ethyl 2-furoate
FL

camphoreous

fenchol
FL/FR

laevo-

fenchone
FL/FR

citrus

petitgrain mandarin oil
FL/FR

styralyl propionate
FL/FR

coffee

methyl furfuryl mercaptopropionate
FL

cooling

carvomenthenol
FL/FR

dextro-

fenchone
FL/FR

ethereal

methyl isobutyrate
FL/FR

fatty

methyl decanoate
FL/FR

(E)-7-

methyl-3-octen-2-one
FL/FR

floral

bois de rose oil terpeneless
FL/FR

(S)-

citronellyl acetate
FL/FR

citronellyl hexanoate
FL/FR

dimethyl benzyl carbinyl acetate
FL/FR

geraniol
FL/FR

geranyl isobutyrate
FL/FR

linalyl butyrate
FL/FR

methyl butyl 3-methyl butenoate
FL

(E)-alpha-

methyl ionone (74-80%)
FL/FR

alpha-iso

methyl ionone (90% min.)
FL/FR

orris rhizome concrete butter (iris pallida)
FL/FR

rhodinyl butyrate
FL/FR

fruity

apricot essence
FL/FR

benzyl acetate
FL/FR

benzyl isobutyrate
FL/FR

benzyl propionate
FL/FR

butyl propionate
FL/FR

citronellyl butyrate
FL/FR

citronellyl isobutyrate
FL/FR

(E)-beta-

damascone
FL/FR

(Z)-beta-

damascone
FL/FR

ethyl anthranilate
FL/FR

heptanol
FL/FR

hexyl-4-acetoxytetrahydrofuran
FL

methoxymelonal
FL/FR

methyl 3-hexenoate
FL/FR

para-

methyl benzyl acetate
FL/FR

alpha-

methyl ionone
FL/FR

nonanon-1-yl acetate
FL/FR

osmanthus concrete
FL/FR

phenethyl isovalerate
FL/FR

sambucus canadensis fruit absolute
FL/FR

star fruit oil cuba
FL/FR

strawberry glycidate 1 (aldehyde C-16 (so-called))
FL/FR

tagete oil madagascar
FL/FR

terpinyl valerate
FL/FR

4-(para-

tolyl)-2-butanone
FL/FR

green

(E)-

citronellyl tiglate
FL/FR

iso

cyclocitral (IFF)
FL/FR

galbanum absolute
FL/FR

iso

jasmone
FL/FR

honey

phenethyl isobutyrate
FL/FR

nutty

phytyl acetate
FL/FR

spicy

cinnamyl formate
FL/FR

ginger root oil china
FL/FR

spicy acetoacetate
FL/FR

turmeric oleoresin
FL

tropical

mercaptohexyl acetate
FL/FR

waxy

butyl undecylenate
FL/FR

(±)-3-

methyl-gamma-decalactone
FL/FR

phenyl-3-buten-2-ol
FL/FR

woody

iso

bornyl formate
FL/FR

dihydro-beta-ionone
FL/FR

methyl ionyl acetate
FL/FR

terpeneless

patchouli oil
FL/FR

patchouli oil china
FL/FR

vetiver oil CO2 extract
FL/FR

vetiver oil haiti
FL/FR

vetiveria zizanioides root oil
FL/FR

Potential Uses:

None Found

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

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

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.

Notes:

Constit. of the juice of wine grape (Vitis vinifera)

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vitispirane 1-oxaspiro[4.5]dec-7-ene, 2,10,10-trimethyl-6-methylene-

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Articles:

vitispirane
1-oxaspiro[4.5]dec-7-ene, 2,10,10-trimethyl-6-methylene-