isolongifolene epoxide
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IUPAC name :2,2,7,7-tetramethyl-5,6-epoxytricyclo-(6.2.1.0(1,6))undecane
InChI :InChI=1/C15H24O/c1-12(2)7-6-11-15(16-11)13(3,4)10-5-8-14(12,15)9-10/h10-11H,5-9H2,1-4H3
InChIKey :VQHLGZRKOZIABH-UHFFFAOYAX
SMILES :CC1(CCC2C3(C14CCC(C4)C3(C)C)O2)C
cas number :67999-56-8
(EINECS) number :268-066-5
molar refractivity :65.05 ± 0.4 cm3
parachor :514.2 ± 6.0 cm3
index of refraction :1.531 ± 0.03
surface tension :35.9 ± 5.0 dyne/cm
density :1.04 ± 0.1 g/cm3
polarizability :25.79 ± 0.5 10-24cm3
XlogP : 4.20
molecular weight : 220.3504600 (IUPAC)
formula :C15 H24 O
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

Suppliers :
Vigon :Folenox

organoleptics :
odor type :woody
odor strength :medium
odor description¹ :
at 100.00 %.  
dry woody citrus linalyl and nopyl acetate
odor sample from :PFW Aroma Chemicals
substantivity :64  Hour(s)

properties :
appearence :colorless clear liquid
assay : 96.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.99400 to 0.99900 @ 20.00 °C.
pounds per gallon - calc. : 8.281 to 8.322
refractive index :1.49400 to 1.49700 @ 20.00 °C.
boiling point : 257.00 to 259.00 °C. @ 760.00 mm Hg
flash point :> 200.00  °F.  TCC  ( > 93.33 °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 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for isolongifolene epoxide fragrance usage levels up to :
  10.0000 % in the fragrance concentrate.
recommendation for isolongifolene epoxide flavor usage levels up to :
 not for flavor use.

safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 
2,2,7,7-tetramethyl-5,6-epoxytricyclo-(6.2.1.0(1,6))undecane
(EINECS) number :268-066-5
chemidplus :067999568
EPA Substance Registry Services :67999-56-8

references :
 
2,2,7,7-tetramethyl-5,6-epoxytricyclo-(6.2.1.0(1,6))undecane
NIST Chemistry WebBook :4123952509
pubchem :684237

Cosmetics :
Cosmetic uses : masking agents

other :
reference : Luebke, William tgsc, (1985)¹
CosIng :cosmetic data
synonyms :
 folenox
 octahydro-4,4,8,8-tetramethyl-4a,7-methano-4ah-naphth(1,8a-b)oxirene
 opalone
oxysesquine
2,2,7,7-tetramethyl-5,6-epoxytricyclo-(6.2.1.0(1,6))undecane
2,2,7,7-tetramethyl-5,6-epoxytricyclo(6.2.1.0(1,6))undecane
 valenone

soluble in :
 alcohol
 carbitol
 diethyl phthalate
 dipropylene glycol
 isopropyl myristate

insoluble in :
 water

stability :
 stable and non-discoloring in neutral to alkaline media

potential blenders :
 allyl iononeFL/FR
 amber carbinolFR
 amber oxepinFR
 ambrette seed oilFL/FR
 ambroxanFL/FR
alpha-amyl cinnamaldehydeFL/FR
isoamyl salicylateFL/FR
 amyris wood oilFR
 angelica root oilFL/FR
 animal carbolactoneFR
para-anisaldehydeFL/FR
para-anisyl alcoholFL/FR
 armoise oilFR
 bay leaf oilFL/FR
 benzoin resinoidFL/FR
 benzophenoneFL/FR
 benzyl benzoateFL/FR
 benzyl isoeugenolFL/FR
 benzyl salicylateFL/FR
 bergamot oilFL/FR
 bois de rose oilFL/FR
isobornyl acetateFL/FR
laevo-bornyl acetateFL/FR
isobutyl benzoateFL/FR
isobutyl cinnamateFL/FR
isobutyl quinolineFR
isobutyl salicylateFL/FR
 caraway seed oilFL/FR
 carrot seed oilFL/FR
 cassia bark oilFL/FR
 cedarleaf oilFL/FR
 cedarwood oils 
 cedrenes 
 cedryl methyl etherFR
 cinnamyl alcoholFL/FR
 cistus oilFL/FR
 citronellolFL/FR
 clary sage oilFL/FR
 clove bud oilFL/FR
 coconut absoluteFL/FR
 coriander seed oilFL/FR
 costus valerolactoneFR
 coumarinFR
 cyclamen aldehydeFL/FR
 cypress oilFR
 decanolFL/FR
 dimethyl benzyl carbinolFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 diphenyl oxideFL/FR
 dodecanalFL/FR
 dodecanolFL/FR
 ethyl cinnamateFL/FR
4-ethyl guaiacolFL/FR
 ethyl laurateFL/FR
 ethyl phenyl acetateFL/FR
 ethyl vanillinFL/FR
 eugenolFL/FR
isoeugenyl acetateFL/FR
 fir balsam absoluteFL/FR
 floral pyranolFR
 frankincense resinoidFL/FR
 fruity cyclopentanoneFR
 galbanum oxathianeFL/FR
 gardenia decaloneFR
 guaiacwood oilFL/FR
 gurjun balsam oilFR
 hay absoluteFR
 heliotropinFL/FR
 heliotropyl acetoneFL/FR
 heliotropyl diethyl acetalFL/FR
gamma-heptalactoneFL/FR
gamma-hexalactoneFL/FR
(Z)-3-hexen-1-yl benzoateFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 ho leaf oilFL/FR
 hyacinth etherFR
 hydroxycitronellalFL/FR
 ionones 
 irones 
 labdanum resinoidFR
 leerallFR
 linaloolFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 linalyl acetateFL/FR
 mastic resinFR
 methyl acetophenoneFL/FR
alpha-methyl cinnamaldehydeFL/FR
 methyl cinnamateFL/FR
 methyl dihydrojasmonateFL/FR
 methyl ionones 
 methyl isoeugenolFL/FR
2-methyl undecanalFL/FR
 methyl undecylenateFL/FR
 muguet carboxaldehydeFR
 musks 
 myrrh oilFL/FR
beta-naphthyl ethyl etherFL/FR
 nerolidolFL/FR
gamma-nonalactoneFL/FR
 nopyl acetateFR
 ocean propanalFL/FR
 orris pyridineFL/FR
 patchouli ethanoneFR
 patchouli oilFL/FR
 phenethyl alcoholFL/FR
 phenethyl phenyl acetateFL/FR
 phenethyl salicylateFL/FR
 phenyl acetaldehyde dimethyl acetalFL/FR
3-phenyl propionaldehydeFL/FR
3-phenyl propyl alcoholFL/FR
isopropyl ionone 
 raspberry ketoneFL/FR
 rhodinolFL/FR
 rose butanoateFL/FR
 sage oilFL/FR
 santallFR
 spruce oilFL/FR
alpha-terpineolFL/FR
 tetrahydrolinaloolFL/FR
 tobacco dodecaneFR
 tonka bean absoluteFR
 vanilla absoluteFL/FR
 vanillyl acetateFL/FR
 verymossFR
 vetiver oilFL/FR
 woody acetateFR
 woody amyleneFR
 woody propanolFR

potential uses :
 chypre
 fern fougere
 patchouli
 pepper
 sandalwood
 spice
 vetiver
 weedy
 woody

natural occurrence in :
 not found in nature  



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