sclarene
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Notes :
Blends well with amber and woody notes.
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :(4aS,8S,8aS)-4,4,8a-trimethyl-7-methylidene-8-(3-methylidenepent-4-enyl)-2,3,4a,5,6,8-hexahydro-1H-naphthalene
InChI :InChI=1/C20H32/c1-7-15(2)9-11-17-16(3)10-12-18-19(4,5)13-8-14-20(17,18)6/h7,17-18H,1-3,8-14H2,4-6H3/t17-,18-,20+/m0/s1
InChIKey :KYLKKZSVPLUGCC-CMKODMSKBY
SMILES :CC1(CCC[C@]2([C@H]1CCC(=C)[C@@H]2CCC(=C)C=C)C)C
cas number :511-02-4
molar refractivity :89.38 ± 0.4 cm3
parachor :720.6 ± 6.0 cm3
index of refraction :1.492 ± 0.03
surface tension :30.1 ± 5.0 dyne/cm
density :0.88 ± 0.1 g/cm3
polarizability :35.43 ± 0.5 10-24cm3
XlogP : 6.80
molecular weight : 272.4680800
formula :C20 H32
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

organoleptics :
odor strength :high ,
recommend smelling in a 1.00 % solution or less
odor description :
at 1.00 % in dipropylene glycol.  
powerful woody amber clary sage

properties :
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 337.00 to 338.00 °C. @ 760.00 mm Hg
flash point : 305.00  °F.  TCC  ( 151.67 °C. )
logP (o/w) : 8.71

safety :
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for sclarene usage levels up to :
  1.0000 % in the fragrance concentrate.

safety references :
EPI System :view
 
 
 
 (4aS,8S,8aS)-4,4,8a-trimethyl-7-methylidene-8-(3-methylidenepent-4-enyl)-2,3,4a,5,6,8-hexahydro-1H-naphthalene
chemidplus :511-02-4
EPA Substance Registry Services :511-02-4

references :
 (4aS,8S,8aS)-4,4,8a-trimethyl-7-methylidene-8-(3-methylidenepent-4-enyl)-2,3,4a,5,6,8-hexahydro-1H-naphthalene
NIST Chemistry WebBook :511024
pubchem :42402575

other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
4,5-decamethylene oxazole
 labda-8(20),13(16),14-triene
(4aS,5S,8aS)-1,1,4a-trimethyl-6-methylene-5-(3-methylene pent-4-enyl) decalin
(4aS,8S,8aS)-4,4,8a-trimethyl-7-methylidene-8-(3-methylidenepent-4-enyl)-2,3,4a,5,6,8-hexahydro-1H-naphthalene

(odor and/or flavor) blends with :
 acetoxymethyl isolongifolene
 acetyl cedrene
 amber acetate
 amber butanol
 amber carane
 amber carbinol
 amber cyclohexanol
 amber dioxane
 amber formate
 amber naphthofuran
 amber oxepin
 angelica seed oil
 anise indene
3-benzyl-4-heptanone
 bergamot mint oil
 bois de rose oil
 boronia butenal
 camphene
alpha-campholenic aldehyde
alpha-cedrene epoxide
 cedryl formate
 champaca flower oil
 cinnamon acrolein
 cistus oil
 clary acetate
 clary propyl acetate
 clary sage resin
 coranol
 coriander heptenol
 costmary oil
 cubeb oil
isocyclocitral
(E)-2-decen-1-al
 dihydrolinalool
3,6-dimethyl-3-octanol
 ethyl linalool
 ethyl linalyl acetal
 ethyl linalyl acetate
 ethyl linalyl ether
 formoxymethyl isolongifolene
 herbal carene
 ho leaf oil
 ho wood oil
 hydroxymethyl isolongifolene 50% in dpg
(Z)-jasmone
 linalool
dextro-linalool
laevo-linalool
 linalool oxide
 linalyl anthranilate
isolongifolene ketone
 marine formate
 mcp acetate
2-methoxy-4-vinyl phenol
 methyl hexyl ketone
para-methyl hydratropaldehyde
1-methyl pyrrole
 ocimene oxirane
 octyl phenyl acetate
 opoponax absolute
 opoponax resinoid
 origanum vulgare l. ssp. vulgare oil himalaya
 patchouli indene
 patchouli woody amber
 petitgrain bigarade oil
 petitgrain oil
 polylimonene
4-isopropyl-2-cyclohexenone
 satinaldehyde
 sclareol
 sclareolide
 spruce oil
 styrax oil
 styrax resinoid
 tetrahydrolinalool
 tobacco dodecane
 woody cyclohexanone
 woody dioxolane
 woody ketone
 woody nonane

(odor and/or flavor) used in :
 amber
 clary sage
 woody

natural occurrence in :
data pagecedarleaf oil canada @ trace%
data pagesage oil albania @ 1.90%



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