sandal pentenol
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IUPAC name :(Z)-3-methyl-5-(2,2,3-trimethyl-1-cyclopent-3-enyl)pent-4-en-2-ol
InChI :InChI=1/C14H24O/c1-10(12(3)15)6-8-13-9-7-11(2)14(13,4)5/h6-8,10,12-13,15H,9H2,1-5H3/b8-6-
InChIKey :RNLHVODSMDJCBR-VURMDHGXBZ
SMILES :CC1=CCC(C1(C)C)\C=C/C(C)C(C)O
cas number :67801-20-1
(EINECS) number :267-140-4
molar refractivity :67.78 ± 0.3 cm3
parachor :539.8 ± 6.0 cm3
index of refraction :1.522 ± 0.02
surface tension :34.9 ± 3.0 dyne/cm
density :0.938 ± 0.06 g/cm3
polarizability :26.87 ± 0.5 10-24cm3
XlogP : 4.00
molecular weight : 208.3397600 (IUPAC)
formula :C14 H24 O
NMR Predictor :Predict
 
 
IUPAC name :(Z)-3-methyl-5-(2,2,3-trimethyl-1-cyclopent-3-enyl)pent-4-en-2-ol
InChI :InChI=1/C14H24O/c1-10(12(3)15)6-8-13-9-7-11(2)14(13,4)5/h6-8,10,12-13,15H,9H2,1-5H3/b8-6+
InChIKey :RNLHVODSMDJCBR-SOFGYWHQBC
SMILES :CC1=CCC(C1(C)C)\C=C\C(C)C(C)O
cas number :67801-20-1  (E)
molar refractivity :67.78 ± 0.3 cm3
parachor :539.8 ± 6.0 cm3
index of refraction :1.522 ± 0.02
surface tension :34.9 ± 3.0 dyne/cm
density :0.938 ± 0.06 g/cm3
polarizability :26.87 ± 0.5 10-24cm3
XlogP : 4.00
molecular weight : 208.3397600 (IUPAC)
formula :C14 H24 O
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
Givaudan :Ebanol®
Odor:  Sandalwood, Musk aspect, Powerful
Ebanol has a very rich, natural sandalwood odour. It is powerful and intense, bringing volume and elegance to woody accords and a diffusive sandalwood effect to compositions. Ebanol is highly substantive on all supports.
Moellhausen :ebanol
90% min. artifical kosher
Odor:  Sandalwood, Musk aspect, Powerful
Organica Aromatics :MOHANOL
NLT 90%(sum of isomers)
Penta :ebanol
Vigon :Ebanol
Odor:  SANDALWOOD, MUSK
organoleptics :
odor type :woody
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description:
at 10.00 % in dipropylene glycol.  		sandalwood woody musk
Luebke, William tgsc, (1987)
odor sample from :Roure Bertrand Dupont Inc.
substantivity :400  Hour(s)
properties :
appearence :colorless to pale yellow clear liquid
assay : 90.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.89800 to 0.90400 @ 25.00 °C.
pounds per gallon - calc. : 7.472 to 7.522
refractive index :1.47800 to 1.48400 @ 20.00 °C.
boiling point : 287.00 to 288.00 °C. @ 760.00 mm Hg
flash point :> 212.00  °F.  TCC  ( > 100.00 °C. )
logP (o/w) : 4.90
safety :
most important hazard(s) : Xi - Irritant
Oral Toxicity(LD50) : 
  Oral-Rat    5000.00  mg/kg

Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :fragrance agents
 
recommendation for sandal pentenol fragrance usage levels up to :
  5.0000 % in the fragrance concentrate.
recommendation for sandal pentenol flavor usage levels up to :
 not for flavor use.
safety references :
EPI System :view
EPA Chem. Sub. Inventory : Yes
 
 
 
 
(Z)-3-methyl-5-(2,2,3-trimethyl-1-cyclopent-3-enyl)pent-4-en-2-ol
(EINECS) number :267-140-4
chemidplus :067801201
EPA Substance Registry Services :67801-20-1
 
(Z)-3-methyl-5-(2,2,3-trimethyl-1-cyclopent-3-enyl)pent-4-en-2-ol
references :
Leffingwell :chirality
 
(Z)-3-methyl-5-(2,2,3-trimethyl-1-cyclopent-3-enyl)pent-4-en-2-ol
pubchem :684035
 
(Z)-3-methyl-5-(2,2,3-trimethyl-1-cyclopent-3-enyl)pent-4-en-2-ol
pubchem :37905155
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
synonyms :
 ebanol
3-methyl-5-(2,2,3-trimethyl-3-cyclopentenyl) pent-4-en-2-ol
(Z)-3-methyl-5-(2,2,3-trimethyl-1-cyclopent-3-enyl)pent-4-en-2-ol
3-methyl-5(2,2,3-trimethyl-3-cyclopenten-1-yl)-4-penten-2-ol
 sandal pentenol
soluble in :
 alcohol
 water, 35 mg/L @ 20C
insoluble in :
 water
potential blenders :    note
 amber carbinolFR
 ambroxanFL/FR
isoamyl benzoateFL/FR
alpha-amyl cinnamaldehydeFL/FR
isoamyl salicylateFL/FR
 amyris wood oilFL/FR
 angelica root oilFL/FR
 animal carbolactoneFR
para-anisaldehydeFL/FR
para-anisyl alcoholFL/FR
 benzyl acetateFL/FR
 benzyl alcoholFL/FR
 benzyl cinnamateFL/FR
 benzyl isobutyrateFL/FR
 benzyl propionateFL/FR
 benzyl salicylateFL/FR
 bergamot oilFL/FR
 bois de rose oilFL/FR
laevo-bornyl acetateFL/FR
isobutyl cinnamateFL/FR
isobutyl quinolineFR
isobutyl salicylateFL/FR
 caraway seed oilFL/FR
 carrot seed oilFL/FR
 cedarwood oils 
 cinnamyl alcoholFL/FR
 citronellolFL/FR
 citronellyl acetateFL/FR
 citrus carbaldehydeFR
 clary sage oilFL/FR
 clove bud oilFL/FR
 clover nitrileFR
 coriander seed oilFL/FR
 costus valerolactoneFR
para-cresyl caprylateFL/FR
 currant bud absolute blackFL/FR
 cyclamen aldehydeFL/FR
 cyclohexyl ethyl alcoholFL/FR
alpha-damasconeFL/FR
beta-damasconeFL/FR
 davana oilFL/FR
9-decen-1-olFL/FR
 dihydrojasmoneFL/FR
 dimethyl anthranilateFL/FR
 dimethyl benzyl carbinolFL/FR
 dimethyl benzyl carbinyl isobutyrateFR
 dodecanalFL/FR
 dodecanolFL/FR
 ethyl laurateFL/FR
 ethyl phenyl acetateFL/FR
 ethyl vanillinFL/FR
isoeugenyl acetateFL/FR
 fir balsam absoluteFR
 floral pyranolFR
 frankincense oilFL/FR
 gardenia oxideFR
 geraniolFL/FR
 geranyl acetateFL/FR
 green acetateFR
 guaiacwood oilFL/FR
 heliotropyl acetoneFL/FR
 heliotropyl diethyl acetalFR
(Z)-3-hexen-1-olFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
(Z)-3-hexen-1-yl tiglateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 hyacinth etherFR
 indoleFL/FR
 ionones 
2,4-ivy carbaldehydeFL/FR
 labdanum resinoidFR
 leerallFR
 linaloolFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 linalyl acetateFL/FR
 melon nonenoateFL/FR
 methyl anthranilateFL/FR
 methyl cedryl ketoneFL/FR
 methyl cinnamateFL/FR
 methyl dihydrojasmonateFL/FR
 methyl ionones 
 mimosa absoluteFL/FR
 muguet carboxaldehydeFR
 musks 
 nerolFL/FR
 nerolidolFL/FR
 neryl acetateFL/FR
 oakmoss absoluteFL/FR
 ocean propanalFL/FR
 orris pyridineFR
 patchouli ethanoneFR
 peony alcoholFR
 phenethyl acetateFL/FR
 phenethyl alcoholFL/FR
 phenethyl isobutyrateFL/FR
 phenethyl propionateFL/FR
3-phenyl propionaldehydeFL/FR
3-phenyl propyl alcoholFL/FR
 raspberry ketone methyl etherFL/FR
 rhodinolFL/FR
 rose butanoateFL/FR
 santallFR
 strawberry glycidate 1FL/FR
 styralyl acetateFL/FR
alpha-terpineolFL/FR
alpha-terpinyl acetateFL/FR
 tonka bean absoluteFR
gamma-undecalactoneFL/FR
 verymossFR
 vetiver oilFL/FR
 violet leaf absoluteFL/FR
 violet methyl carbonateFR
 watermelon ketoneFR
 woody acetateFR
 woody amyleneFR
 woody propanolFR
potential uses :
 amber
 ambrette
 animal
 ash mountain ash
 azalea
 balsam
 bark
 bayberry
 boxwood
 burberry
 cabreuva
 cassia blossom
 cedar forest
 champaca champak
 chestnut blossom
 christmas blends
 chypre
 cistus
 clary sage
 clean
 clove blossom
 coronilla
 cyclamen
 daffodil narcissus
 dahlia
 daisy
 daphne
 date
 dogwood
 dry
 elderberry
 fern fougere
 fig
 fir balsam
 fir needle
 flouve blossom
 forest
 galanga
 ginger
 ginger white ginger
 gingergrass
 grass sweet grass
 guaiacwood
 hawthorn
 hay new mown hay foin coupe
 heather
 herbal
 incense
 labdanum
 lavender
 leather
 maja
 meadow
 musk
 oriental
 petunia
 phlox
 pine
 prune
 raisin
 rose d'orient
 rose dog rose
 rose moss rose
 sandalwood
 soapy
 spicewood
 stephanotis
 tarragon
natural occurrence in :    note
 not found in nature  

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