patchouli ethanol
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IUPAC name :(2Z)-2-(6,6-dimethyl-5-bicyclo[2.2.1]heptanylidene)ethanol
InChI :InChI=1/C11H18O/c1-11(2)9-4-3-8(7-9)10(11)5-6-12/h5,8-9,12H,3-4,6-7H2,1-2H3
InChIKey :JGDHOHFQJJATNG-UHFFFAOYAO
SMILES :CC\1(C2CCC(C2)/C1=C/CO)C
cas number :2226-05-3
(EINECS) number :218-755-1
molar refractivity :52.07 ± 0.3 cm3
parachor :404.6 ± 6.0 cm3
index of refraction :1.571 ± 0.02
surface tension :42.6 ± 3.0 dyne/cm
density :1.049 ± 0.06 g/cm3
polarizability :20.64 ± 0.5 10-24cm3
XlogP : 2.90
molecular weight : 166.2600200
formula :C11 H18 O
BioActivity Analysis :81876
 
 
export tariff code :unspecified
fda reg :unspecified

organoleptics :
odor type :woody
odor strength :medium
odor description :¹
at 100.00 %.  
dry sawdust woody patchouli camphor mint
odor sample from :International Flavors & Fragrances Inc.
substantivity :156  Hour(s)

properties :
appearence :colorless clear slightly viscous liquid
assay : 75.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.98100 to 0.98800 @ 25.00 °C.
pounds per gallon - calc. : 8.163 to 8.221
specific gravity :0.98200 to 0.98900 @ 20.00 °C.
pounds per gallon - calc. : 8.181 to 8.239
refractive index :1.50100 to 1.50500 @ 20.00 °C.
boiling point : 241.00 to 242.00 °C. @ 760.00 mm Hg
flash point :> 212.00  °F.  TCC  ( > 100.00 °C. )
logP (o/w) : 3.22

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

safety in use :
 
recommendation for patchouli ethanol usage levels up to :
  5.0000 % in the fragrance concentrate.
recommendation for patchouli ethanol usage levels up to :
 not for flavor use.

safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
 
 
 (2Z)-2-(6,6-dimethyl-5-bicyclo[2.2.1]heptanylidene)ethanol
(EINECS) number :218-755-1
chemidplus :002226053
EPA Substance Registry Services :2226-05-3
dtp/nci :18920

references :
 (2Z)-2-(6,6-dimethyl-5-bicyclo[2.2.1]heptanylidene)ethanol
pubchem :672257

Cosmetics :
Cosmetic uses : perfuming agents

other :
reference : Luebke, William tgsc, (1990)¹
CosIng :cosmetic data
synonyms :
2-(3,3-dimethyl bicyclo(2.2.1)hept-2-ylidene) ethanol
2-dimethyl bicyclohept-2-ylidene ethanol
2,2-dimethyl-1-norbornylidene ethanol
3,3-dimethyl-2-norbornane-2-ethanol
(2Z)-2-(6,6-dimethyl-5-bicyclo[2.2.1]heptanylidene)ethanol
3,3-dimethyl-delta-2,beta-norbornane ethanol
3,3-dimethyl-delta(2,beta)-norbornane ethanol
 patchomint

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
1-allyl-2,2,7,7-tetramethyl cycloheptanol
 borneol
laevo-borneol
isobornyl methyl ether
isobornyl propionate
 buchu leaf oil
2-tert-butyl cyclohexanone
para-tert-butyl cyclohexanone
 carvacrol
 cedarleaf oil terpeneless
alpha-cedrene epoxide
 herbal dioxane
 herbal norbornane
 hinoki root oil
 lavandin concrete
 methyl cyclogeranate
 methyl delta-ionone
 ocimene quintoxide
 origanum oil
 origanum oil turkey
 patchouli hexanol
 patchouli indene
 patchouli oil china
 peppermint cyclohexanone
 pinacol
 pine hexanol
 pinocarveol
 rosemary absolute
 rosemary oil
 rosemary oil morocco
 sassafras oil
 woody dodecane
 woody epoxide
 woody ether

(odor and/or flavor) used in :
 amber
 ambergris
 ambreine
 amyris
 angelica
 ash mountain ash
 bark
 bayberry
 beech wood tar
 benzoin
 bergamot
 birch tar
 bois de rose rosewood
 boronia
 boxwood
 buchu
 cabreuva
 cade
 calamus
 cardamom
 cascarilla
 cassie acacia farnesiana
 cedar
 cedar forest
 cedarwood
 cedarwood atlas
 celery
 cigar box
 cistus
 citronella
 clary sage
 costus
 cypress
 dogwood
 elemi
 estragon
 fern fougere
 forest
 forest pine forest
 galanga
 galbanum
 ginger
 gingergrass
 grass sweet grass
 guaiacwood
 gurjun
 hay new mown hay foin coupe
 heather
 herbal
 hinoki
 hyssop
 iris blossom
 juniper
 juniperberry
 labdanum
 mace
 maja
 mimosa wattle
 mint
 oakwood
 olibanum frankincense
 opoponax
 orange bitter orange
 oregano
 oriental
 orris iris
 osmanthus
 patchouli
 pine dwarf pine
 pine needle
 pine scotch pine
 pinon cone
 redwood
 sandalwood
 spice
 spikenard
 spruce
 tansy tanaisie
 tarragon
 timber
 tolu balsam
 valerian
 vetiver
 woody
 wormseed chenopodium

natural occurrence in :
not found in nature



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