vetiverol
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IUPAC name :4,8-dimethyl-2-propan-2-ylidene-3,3a,4,5,6,8a-hexahydro-1H-azulen-6-ol
InChI :InChI=1/C15H24O/c1-9(2)12-7-14-10(3)5-13(16)6-11(4)15(14)8-12/h5,11,13-16H,6-8H2,1-4H3
InChIKey :INIOTLARNNSXAE-UHFFFAOYAO
SMILES :CC1CC(C=C(C2C1CC(=C(C)C)C2)C)O
cas number :89-88-3
(EINECS) number :201-949-5
fema number :4217
coe number :10321
jecfa number :1866
fl. number :02.214
molar refractivity :68.25 ± 0.3 cm3
parachor :544.7 ± 6.0 cm3
index of refraction :1.509 ± 0.02
surface tension :32.2 ± 3.0 dyne/cm
density :0.964 ± 0.06 g/cm3
polarizability :27.05 ± 0.5 10-24cm3
XlogP : 3.60
molecular weight : 220.3504600 (IUPAC)
formula :C15 H24 O
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
Berje :Vetyverol
Fleurchem :vetiverol
Mane :vetiverol
(ex Vetyver)
Penta :vetiverol
organoleptics :
odor type :woody
odor strength :medium
odor description¹ :
at 100.00 %.  		sweet balsam woody root sandalwood
odor sample from :International Flavors & Fragrances Inc.
substantivity :341 hour(s) at 100.00 %
properties :
appearence :yellow to pale green clear viscous liquid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.98400 to 1.00400 @ 25.00 °C.
pounds per gallon - calc. : 8.188 to 8.354
specific gravity :0.98500 to 1.00500 @ 20.00 °C.
pounds per gallon - calc. : 8.206 to 8.372
refractive index :1.52100 to 1.52700 @ 20.00 °C.
melting point : 69.00 to 70.00 °C. @ 760.00 mm Hg
flash point :> 212.00  °F.  TCC  ( > 100.00 °C. )
logP (o/w) : 4.84
safety :
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.011 (μg/capita/day)
Structure Class :I
Category :flavor and fragrance agents
 
recommendation for vetiverol fragrance usage levels up to :
  10.0000 % in the fragrance concentrate.
 
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA on the "LIBRARY" link.
publication number : 22
 average usual ppmaverage maximum ppm
baked goods : 10.0000050.00000
beverages(nonalcoholic) : --
beverages(alcoholic) : --
breakfast cereal : 5.0000025.00000
cheese : 7.0000035.00000
chewing gum : --
condiments / relishes : --
confectionery froastings : 10.0000050.00000
egg products : --
fats / oils : 5.0000025.00000
fish products : 2.0000010.00000
frozen dairy : 7.0000035.00000
fruit ices : 10.0000050.00000
gelatins / puddings : --
granulated sugar : --
gravies : --
hard candy : 20.00000100.00000
imitation dairy : 7.0000035.00000
instant coffee / tea : --
jams / jellies : --
meat products : 5.0000025.00000
milk products : 7.0000035.00000
nut products : --
other grains : --
poultry : 2.0000010.00000
processed fruits : 7.0000035.00000
processed vegetables : --
reconstituted vegetables : --
seasonings / flavors : 5.0000025.00000
snack foods : --
soft candy : 20.00000100.00000
soups : 5.0000025.00000
sugar substitutes : --
sweet sauces : 5.0000025.00000
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
 
 
 
 
4,8-dimethyl-2-propan-2-ylidene-3,3a,4,5,6,8a-hexahydro-1H-azulen-6-ol
(EINECS) number :201-949-5
chemidplus :000089883
EPA Substance Registry Services :89-88-3
references :
 
4,8-dimethyl-2-propan-2-ylidene-3,3a,4,5,6,8a-hexahydro-1H-azulen-6-ol
fl. number :02.214
jecfa number :1866
pubchem :678975
Cosmetics :
Cosmetic uses : perfuming agents
other :
reference : Luebke, William tgsc, (1986)¹
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
RIFM :listed
FMA :listed
synonyms :
4,8-dimethyl-2-propan-2-ylidene-3,3a,4,5,6,8a-hexahydro-1H-azulen-6-ol
1,2,3,3a,4,5,6,8a-octahydro-2-isopropylidene-4,8-dimethyl azulen-6-ol
1,2,3,3a,4,5,6,8a-octahydro-4,8-dimethyl-2-(1-methyl ethylidene)-6-azulenol
 octahydro-7,7-dimethyl-8-methylene-1H-3alpha,6-methanozulene-3-methanol
soluble in :
 alcohol
insoluble in :
 water
stability :
 non-discoloring in most media
potential blenders :    note
 allspice oilFL/FR
 amber carbinolFR
 ambrette seed oilFL/FR
 ambroxanFL/FR
isoamyl benzoateFL/FR
alpha-amyl cinnamaldehydeFL/FR
isoamyl phenyl acetateFL/FR
isoamyl salicylateFL/FR
 amyris wood oilFL/FR
 angelica root oilFL/FR
para-anisaldehydeFL/FR
para-anisyl alcoholFL/FR
 beeswax absoluteFL/FR
 benzoin resinoidFL/FR
 benzyl benzoateFL/FR
 benzyl cinnamateFL/FR
 benzyl isoeugenolFL/FR
 benzyl salicylateFL/FR
 bergamot oilFL/FR
 bois de rose oilFL/FR
isobornyl acetateFL/FR
laevo-bornyl acetateFL/FR
isobutyl cinnamateFL/FR
isobutyl quinolineFR
 carnation absoluteFR
 cassia bark oilFL/FR
 cedarwood oils 
 chamomile oilFL/FR
 cinnamyl acetateFL/FR
 cinnamyl alcoholFL/FR
 cistus oilFL/FR
 citronellolFL/FR
 clary sage oilFL/FR
 clove bud oilFL/FR
 clover nitrileFR
 coriander seed oilFL/FR
 coumarinFR
 cyclamen aldehydeFL/FR
gamma-decalactoneFL/FR
 decyl acetateFL/FR
 dimethyl benzyl carbinolFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
 dimethyl benzyl carbinyl isobutyrateFR
 dimethyl hydroquinoneFL/FR
 dodecanalFL/FR
 dodecanolFL/FR
 ethyl cinnamateFL/FR
 ethyl laurateFL/FR
 ethyl maltolFL/FR
 ethyl vanillinFL/FR
 eugenolFL/FR
 fir balsam absoluteFR
 floral pyranolFR
 frankincense oilFL/FR
 geraniolFL/FR
(E)-geranyl acetoneFL/FR
 guaiacwood oilFL/FR
 gurjun balsam oilFR
 hay absoluteFR
 heliotropinFL/FR
 heliotropyl diethyl acetalFR
(Z)-3-hexen-1-yl benzoateFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 ho leaf oilFR
 hyacinth etherFR
 hydroxycitronellalFL/FR
 ionones 
 labdanum resinoidFR
 leerallFR
 linaloolFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 linalyl acetateFL/FR
 marine pyridineFR
 methyl acetophenoneFL/FR
 methyl cedryl ketoneFL/FR
 methyl cinnamateFL/FR
 methyl dihydrojasmonateFL/FR
 methyl ionones 
 methyl isoeugenolFL/FR
 mimosa absoluteFL/FR
 muguet carboxaldehydeFR
 musk ambretteCS
 musks 
 nerolFL/FR
 nonanalFL/FR
 oakmoss absoluteFL/FR
 ocean propanalFL/FR
 orangeflower absoluteFL/FR
 patchouli ethanoneFR
 patchouli oilFL/FR
 pepper oil blackFL/FR
 phenethyl acetateFL/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
 raspberry ketoneFL/FR
 rhodinolFL/FR
 rose butanoateFL/FR
 sandalwood oilFL/FR
 santallFR
alpha-terpineolFL/FR
 tetrahydrolinaloolFL/FR
 tobacco dodecaneFR
 tonka bean absoluteFR
gamma-undecalactoneFL/FR
10-undecen-1-alFL/FR
 vanilla absoluteFL/FR
 vanillyl acetateFL/FR
 verymossFR
 violet methyl carbonateFR
 woody acetateFR
 woody amyleneFR
 woody propanolFR
potential uses :
 acacia
 amber
 amyris
 animal
 armoise
 ash mountain ash blossom
 azalea
 balsam
 bark
 bayberry
 bean locust bean
 beeswax cire d'abeille
 boronia
 boxwoodberry
 broom genet genista
 burberry
 cabreuva
 carnation dianthus oeillet
 cassia
 cassia blossom
 castoreum
 cedar forest
 cedarleaf
 chanel #5
 chypre
 clove blossom
 coconut
 coronilla
 cortex
 costus
 daphne
 deertongue
 earth humus
 fantasy blends
 fenugreek
 fern fougere
 fig
 fir balsam
 floral
 flouve
 flouve blossom
 forest
 galbanum
 ginger white ginger
 grass
 grass sweet grass
 guaiacwood
 habuba
 hawthorn
 heather
 hugonia
 immortelle helichrysum everlasting
 incense
 iris blossom
 jonquil narcissus jonquilla
 labdanum
 leaf autumn leaf
 leather
 mate
 mimosa wattle
 moss
 musk
 myrrh
 nut
 oakwood
 opoponax
 oriental
 orris iris
 outdoors fresh outdoors
 patchouli
 petunia
 phlox
 pinon cone
 powder
 rose d'orient
 rose moss rose
 rose white rose
 sage
 sandalwood
 soapy
 spice
 straw
 tea
 tobacco tabac tabaco
 tonka
 tulip
 tweed
 vanilla
 vetiver
 wistaria wisteria glycine
 woodruff asperula
 woody
natural occurrence in :    note
 natural  

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