theaspirane
Suppliers  organoleptics  properties  safety  references  cosmetics    FEMA Index    Home Page
Notes :
Blends well with vanilla notes.
 
Right Click Jmol Molecule For More Options. (Safari 1.2 (v125) Compatible). Jmol is a free download found Here.
 
IUPAC name :2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-ene
InChI :InChI=1/C13H22O/c1-10-6-5-8-12(3,4)13(10)9-7-11(2)14-13/h6,11H,5,7-9H2,1-4H3
InChIKey :GYUZHTWCNKINPY-UHFFFAOYAD
SMILES :CC1CCC2(O1)C(=CCCC2(C)C)C
cas number :36431-72-8
(EINECS) number :253-031-9
beilstein number :1424383
fema number :3774
coe number :10515
jecfa number :1238
fl. number :13.098
molar refractivity :59.56 ± 0.4 cm3
parachor :486.4 ± 6.0 cm3
index of refraction :1.488 ± 0.03
surface tension :30.7 ± 5.0 dyne/cm
density :0.94 ± 0.1 g/cm3
polarizability :23.61 ± 0.5 10-24cm3
XlogP : 2.80
molecular weight : 194.3131800 (IUPAC)
formula :C13 H22 O
pherobase floral:view
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

Suppliers :
Apple :Theaspirane,2,6,10,10-Tetramethyl-1-oxaspiro[4,5]dec-6-one
Frutarom :THEASPIRAN
≥85.00% (sum of isomers), NI, Kosher
Odor:  Green, Herbal, Metallic, Spicy, Woody
Suggested Uses: Blackberry, Citrus Fruits, Herbal Flavours, Raspberry, Soft Fruits, Tea, Vanilla
Givaudan :Spiroxide
≥85%, NI, Kosher
Odor:  Green,Fruity,Woody,Champhorated
This strong chemical demonstrates camphoraceous fresh fruity notes.
Penta :theaspirane
SAFC Global® :(±)-Theaspirane
≥85% (mixture of cis and trans), Kosher
Odor:  berry; green; woody; minty; vanilla; wine-like

organoleptics :
odor type :herbal
odor strength :high ,
recommend smelling in a 1.00 % solution or less
odor description:
at 1.00 % in dipropylene glycol.  
tea herbal green wet tobacco leaf metallic woody spicy
Luebke, William tgsc, (1991)
odor sample from :Givaudan Corporation
odor description:
Woody, cooling, minty and camphoreous, with a fresh green herbal nuance
Mosciano, Gerard P&F 15, No. 6, 35, (1990)
taste description:
at 10.00 ppm.  
Cooling minty, camphoraceous, with an herbal and piney nuance
Mosciano, Gerard P&F 15, No. 6, 35, (1990)

properties :
appearence :colorless clear liquid
assay : 96.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.93400 to 0.94400 @ 25.00 °C.
pounds per gallon - calc. : 7.772 to 7.855
refractive index :1.48000 to 1.49500 @ 20.00 °C.
boiling point : 68.00 to 72.00 °C. @ 3.00 mm Hg
boiling point : 274.00 to 275.00 °C. @ 760.00 mm Hg
vapor density :6.6 ( Air = 1 )
flash point : 149.00  °F.  TCC  ( 65.00 °C. )
logP (o/w) : 4.14

safety :
most important hazard(s) :Xi - Irritant
  R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/39 - Wear suitable clothing and eye/face protection.
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 

safety in use :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :1.70 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :0.10 (μg/capita/day)
 
recommendation for theaspirane fragrance usage levels up to :
  0.5000 % in the fragrance concentrate.
recommendation for theaspirane flavor usage levels up to :
  10.0000 ppm in the flavor.

safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 
2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-ene
(EINECS) number :253-031-9
chemidplus :036431728
EPA Substance Registry Services :36431-72-8

references :
Leffingwell :chirality
 
2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-ene
fl. number :13.098
jecfa number :1238
NIST Chemistry WebBook :1601872106
pubchem :198362

Cosmetics :
Cosmetic uses : perfuming agents

other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
6,9-epoxy-4-megastigmene
1-oxaspiro-2,6,10,10-tetramethyl(4.5)dec-6-ene
 spiroxide
 tetramethyl-1-oxaspiro-6-decene
2,6,10,10-tetramethyl-1-oxaspiro(4.5)dec-6-ene
2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-ene
 theaspirane

soluble in :
 alcohol

insoluble in :
 water

potential blenders :    note
6-acetoxydihydrotheaspiraneFL/FR
2-acetyl furanFL/FR
2-acetyl pyridineFL/FR
 allyl amyl glycolateFR
 allyl hexanoateFL/FR
 amber carbinolFR
 amber decatrieneFR
 ambrette seed absoluteFL/FR
 ambrette seed oilFL/FR
alpha-amyl cinnamaldehydeFL/FR
alpha-amyl cinnamyl formateFL/FR
alpha-amyl cinnamyl isovalerateFL/FR
 amyl phenyl acetateFL/FR
isoamyl salicylateFL/FR
 angelica root oilFL/FR
para-anisaldehydeFL/FR
para-anisyl acetateFL/FR
para-anisyl alcoholFL/FR
 armoise oilFR
 basil absolute sweetFL/FR
 basil oleoresin sweetFL/FR
 beeswax absoluteFL/FR
 benzoin resinoidFL/FR
 benzophenoneFL/FR
 benzyl acetateFL/FR
 benzyl alcoholFL/FR
 benzyl isoeugenolFL/FR
 benzyl propionateFL/FR
 benzyl salicylateFL/FR
 bergamot oilFL/FR
(E)-alpha-bergamotene 
 bois de rose oilFL/FR
isobornyl acetateFL/FR
laevo-bornyl acetateFL/FR
 boronia butenalFR
 bran absoluteFR
isobutyl angelateFL/FR
isobutyl cinnamateFL/FR
isobutyl heptanoateFL/FR
isobutyl methyl ketoneFL/FR
isobutyl quinolineFR
isobutyl quinolineFR
isobutyl salicylateFL/FR
2-sec-butyl thiazoleFL/FR
4-butyl thiazoleFL
alpha-campholenic aldehydeFL/FR
 carrot seed oilFL/FR
 cedarwood oilsFR
alpha-cedrene epoxideFR
 chamomile flower oil germanyFL/FR
 chamomile oilFL/FR
 champaca absoluteFR
 champaca flower oilFR
 cinnamyl alcoholFL/FR
 cinnamyl formateFL/FR
 cistus oilFL/FR
 citronellolFL/FR
 citronellyl acetateFL/FR
 clary sage absoluteFL/FR
 clary sage oilFL/FR
 clove bud oilFL/FR
 clover nitrileFR
 coriander seed oilFL/FR
 costus root oilFL
para-cresyl caprylateFL/FR
para-cresyl isovalerateFL/FR
(-)-cubenol 
 cuminaldehydeFL/FR
 cyclamen aldehydeFL/FR
isocyclogeraniolFR
 cyclohexanone diethyl acetalFL/FR
 cyperus root oilFR
beta-damascenoneFL/FR
(E)-beta-damasconeFL/FR
(Z)-beta-damasconeFL/FR
alpha-damasconeFL/FR
beta-damasconeFL/FR
delta-damasconeFL/FR
 decanalFL/FR
 decanolFL/FR
9-decen-1-alFL/FR
9-decen-1-olFL/FR
 decyl acetateFL/FR
N,N-diethyl octanamideFR
 dihydrorose oxideFR
 dill weed oilFL/FR
 dimethyl benzyl carbinolFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 dimethyl benzyl carbinyl formateFL/FR
 dimethyl benzyl carbinyl isobutyrateFR
 dimethyl benzyl carbinyl propionateFR
2,4-dimethyl thiazoleFL
2,4-dimethyl-3-cyclohexene-1-methanolFR
 dipentene terpene hydrocarbon byproductsFR
 diphenyl oxideFL/FR
 dodecanalFL/FR
 dodecanolFL/FR
 ethyl 3-hydroxyhexanoateFL/FR
 ethyl 4-pentenoateFL/FR
 ethyl cinnamateFL/FR
 ethyl laurateFL/FR
 ethyl levulinateFL/FR
 ethyl phenyl acetateFL/FR
3-ethyl pyridineFL/FR
 ethyl vanillinFL/FR
 fig leaf absoluteFL
 fir balsam absoluteFR
 fir needle oilFL/FR
 floral pyranolFR
 frankincense oilFL/FR
 galbanum oilFL/FR
 gardenia oxideFR
 geraniolFL/FR
 geranium oil africaFL/FR
 geranium oil egyptFL/FR
 geranyl acetateFL/FR
 geranyl formateFL/FR
 grapefruit oilFL/FR
 grapefruit pentanolFR
 green acetateFR
 heliotropinFL/FR
 heliotropyl acetoneFL/FR
 heliotropyl diethyl acetalFR
 heptanalFL/FR
 heptanolFL/FR
 heptyl butyrateFL/FR
 herbal cyclohexaneFR
 herbal dioxaneFR
 herbal heptaneFR
 herbal undecanoneFR
(E,E)-2,4-hexadien-1-ol 
gamma-hexalactoneFL/FR
(E)-4-hexen-1-olFL
(Z)-4-hexen-1-olFL/FR
3-hexen-1-yl 2-methyl butyrateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl benzoateFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
(Z)-3-hexen-1-yl tiglateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 ho leaf oilFR
 hop absoluteFL/FR
 hop oilFL/FR
 hyacinth etherFR
2'-hydroxyacetophenoneFL/FR
 ionones 
2,4-ivy carbaldehydeFL/FR
 ivy leaf absoluteFR
 lavender absoluteFL/FR
 leaf acetalFL/FR
 leerallFR
 lilyallFR
 linaloolFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 linalyl acetateFL/FR
 linalyl formateFL/FR
 linalyl octanoateFL/FR
 longifoleneFL/FR
isolongifolene ketoneFR
 marigold oil mexico 
 marine pyridineFR
 mate absoluteFL/FR
 melon nonenoateFL/FR
 methyl 2-furoateFL/FR
 methyl acetophenoneFL/FR
 methyl benzoxoleFL/FR
 methyl cedryl ketoneFL/FR
alpha-methyl cinnamaldehydeFL/FR
 methyl cinnamateFL/FR
 methyl dihydrojasmonateFL/FR
alpha-isomethyl ionone (90% min.)FL/FR
 methyl ionones 
 methyl isoeugenolFL/FR
 methyl jasmonateFL/FR
 methyl nicotinateFL/FR
 methyl phenyl acetateFL/FR
6-methyl quinolineFL/FR
2-methyl undecanalFL/FR
(E)-6-methyl-3-hepten-2-oneFL/FR
 mint lactoneFL/FR
 mistletoe absolute 
 muguet carboxaldehydeFR
 nerolFL/FR
 neryl formateFL/FR
 nonisyl formateFR
 nopyl acetateFR
 oakmoss absoluteFL/FR
 ocean propanalFL/FR
(E)-2-octen-1-alFL/FR
3-octen-1-yl acetateFL/FR
 origanum oilFL/FR
 orris pyridineFR
 paprika oleoresinFL/FR
 patchouli ethanoneFR
 patchouli oilFL/FR
2-pentyl cyclopentanoneFR
 pepper oil blackFL/FR
 perillaldehydeFL/FR
 phenethyl acetateFL/FR
 phenethyl alcoholFL/FR
 phenethyl isobutyrateFL/FR
 phenethyl phenyl acetateFL/FR
 phenethyl salicylateFL/FR
 phenyl acetaldehydeFL/FR
 phenyl acetic acidFL/FR
3-phenyl propyl alcoholFL/FR
ketoisophoroneFL/FR
isophytolFL/FR
 propenyl guaetholFL/FR
2-propyl pyridineFL
2-propyl thiazoleFL
isopulegolFL/FR
 raspberry ketoneFL/FR
 raspberry ketone acetateFL/FR
 raspberry ketone methyl etherFL/FR
 reseda absoluteFR
 rhodinolFL/FR
 rose butanoateFL/FR
 rose oxides 
 rose pyranFR
 saffron indenoneFL/FR
 saffron resinoidFL/FR
 safranalFL/FR
 sandalwood oilFL/FR
 santallFR
 seaweed absoluteFL/FR
 spruce oilFL/FR
 tagete flower oil rwandaFL/FR
 tagete oilFL/FR
 tagete oil CO2 extractFL/FR
 tea acetateFR
alpha-terpineolFL/FR
 tetrahydrolinaloolFL/FR
alpha-thujene 
 thyme absoluteFL/FR
 timber dioxolaneFR
 tobacco butenalFR
 tobacco concreteFR
 tobacco cyclohexenoneFL/FR
 tobacco dodecaneFR
 tobacco flower absoluteFR
 tobacco leaf absoluteFR
 tobacco noneneFR
 tonka bean absoluteFR
 tonka undecanoneFR
 treemoss absoluteFR
 tricyclodecyl acetateFR
 tropical indeneFR
 undecanolFL/FR
 vanillyl acetateFL/FR
 verbena absolute franceFL
 viridiflorolFL/FR
 waxy nitrileFR
 woodruff absoluteFR
 woody acetateFR
 woody amyleneFR
 woody dioxolaneFR
 woody etherFR
 woody propanolFR

potential uses :
 berry
 blackberry
 citrus
 fruit tropical fruit
 grape
 grapefruit
 green
 guava
 herbal
 mint
 neroli
 passion fruit
 quince
 raspberry
 spice
 tea
 tobacco tabac tabaco leaf
 vanilla
 woody

natural occurrence in :    note
 blackberry  
 grape  
 guava S
 passion fruit S
 raspberry plant  
 tea  

information only - not sold by The Good Scents Company.



Please share your Information / Comments.

Your email Address:



Top of Page          The Good Scents Company Home

Copyright © 1980-2010 The Good Scents Company Disclaimer Privacy Policy
Html Last modified 03/10/2010