woody octene
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Notes :
Just like vertofix or isocyclemone e.
 
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IUPAC name :1-(3-methyl-7-propan-2-yl-6-bicyclo[2.2.2]oct-3-enyl)ethanone
InChI :InChI=1/C14H22O/c1-8(2)12-6-11-7-13(10(4)15)14(12)5-9(11)3/h8,12-14H,5-7H2,1-4H3
InChIKey :GNALWRWCIFZYEK-UHFFFAOYAM
SMILES :CC1=C2CC(C(C1)C(C2)C(=O)C)C(C)C
cas number :68259-33-6
(EINECS) number :269-524-7
molar refractivity :62.25 ± 0.4 cm3
parachor :508.9 ± 6.0 cm3
index of refraction :1.491 ± 0.03
surface tension :31.5 ± 5.0 dyne/cm
density :0.96 ± 0.1 g/cm3
polarizability :24.68 ± 0.5 10-24cm3
XlogP : 3.40
molecular weight : 206.3238800 (IUPAC)
formula :C14 H22 O
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
organoleptics :
odor type :woody
odor strength :medium
odor description:
at 100.00 %.  		woody clean spicy balsam
Luebke, William tgsc, (1986)
odor sample from :Naarden International
substantivity :68  Hour(s)
properties :
appearence :colorless to pale yellow clear liquid
assay : 95.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.95700 @ 20.00 °C.
boiling point : 95.00 °C. @ 5.00 mm Hg
flash point :> 200.00  °F.  TCC  ( > 93.33 °C. )
logP (o/w) : 4.02
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 :
Category :fragrance agents
 
recommendation for woody octene fragrance usage levels up to :
  5.0000 % in the fragrance concentrate.
recommendation for woody octene 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
 
 
 
 
1-(3-methyl-7-propan-2-yl-6-bicyclo[2.2.2]oct-3-enyl)ethanone
(EINECS) number :269-524-7
chemidplus :068259336
EPA Substance Registry Services :68259-33-6
references :
 
1-(3-methyl-7-propan-2-yl-6-bicyclo[2.2.2]oct-3-enyl)ethanone
pubchem :686607
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
synonyms :
7(8)-acetyl-5-isopropyl-2-methyl bicyclo(2.2.2)octene-2
 felvinone
1-(3-methyl-7-propan-2-yl-6-bicyclo[2.2.2]oct-3-enyl)ethanone
1-(5(or 6)-methyl-7(or 8)-(1-methyl ethyl) bicyclo(2.2.2)oct-5-en-2-yl)
1-(6-methyl-8-(1-methyl ethyl) bicyclo(2.2.2)oct-5-en-2-yl)-1-ethanone
isopropyl bicyclooctenyl methyl ketone
 woody octene
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
para-anisyl phenyl acetateFL/FR
 bay leaf oil terpenelessFL/FR
 benzoin absolute siamFL/FR
 benzoin absolute sumatraFL/FR
 benzoin resin siamFL/FR
 benzoin resin sumatraFL/FR
 benzoin resinoid siamFL/FR
 benzoin resinoid sumatraFL/FR
1-benzoyl acetoneFL/FR
 benzyl isoeugenolFL/FR
alpha-bisaboleneFL/FR
laevo-bornyl acetateFL/FR
 cananga oilFL/FR
 cananga oil chinaFL/FR
 cardamom seed oilFL/FR
 carvacrolFL/FR
 cascarilla bark oilFL/FR
 cedarwood oil epoxidizedFR
 chamomile oilFL/FR
 cinnamon bark oilFL/FR
 cinnamon oleoresinFL
 cinnamyl acetateFL/FR
 cinnamyl benzoateFL/FR
 clove bud absoluteFL/FR
 conifer acetateFL/FR
 copaiba balsam oilFL/FR
 coriander oleoresinFL
 estragon oilFL/FR
 ethyl salicylateFL/FR
 fir needle oil canadaFL/FR
 fir needle oil terpenelessFL/FR
 frankincense absoluteFL/FR
 frankincense resinoidFL/FR
 furfural acetoneFL
 galangal root oilFL/FR
 galangal root oleoresinFL
 galbanum absoluteFL/FR
 ginger root oilFL/FR
 ginger root oil brazil 
 grains of paradise oilFL
 guaiacwood oilFL/FR
 guaiyl butyrateFR
 gurjun balsam oilFR
 hemlock western oilFR
 hexyl benzoateFL/FR
 juniper berry absoluteFL/FR
 mace oilFL/FR
 mace oil CO2 extractFL/FR
 methyl heptadienoneFL/FR
 methyl hydrogenated rosinateCS
 methyl phenyl sulfideFL
 muhuhu wood oilFR
 musk indanoneFR
 myrceneFL/FR
 myristicin 
 myrrh absoluteFL/FR
 myrrh resinoidFR
 nutmeg absoluteFL/FR
 nutmeg extract CO2 west indianFL/FR
 opoponax oilFL/FR
 opoponax oilFL/FR
 opoponax resinoidFR
 patchouli absoluteFR
 peru balsamFL
 pimento berry absoluteFL/FR
 pine needle oil dwarfFL/FR
 rose absolute moroccoFL/FR
 safroleFL
 sandal hexanolFR
 santallFR
 spicy acetoacetateFL/FR
 spicy carbonateFR
(E)-tiglic acidFL/FR
 tolu balsam absoluteFL/FR
 tolu balsam oilFL/FR
 tolu balsam resinoidFR
 tonka undecanoneFR
 turmeric oleoresinFL
 turmeric root absoluteFL
 vetiverolFL/FR
 wormwood oil annus franceFL/FR
 wormwood oil annus vietnamFL/FR
potential uses :
 amber
 balsam
 floral
 herbal
 oriental
 spice
 woody
natural occurrence in :    note
 not found in nature  

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