patchouli indene
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InChI :InChI=1/C12H18O/c1-6-3-10-9-4-8(5-11(9)13)12(10)7(6)2/h3,7-13H,4-5H2,1-2H3
InChIKey :WJYPOGJOWNDSPL-UHFFFAOYAG
SMILES :CC1C2C3CC(C2C=C1C)C(C3)O
cas number :94248-21-2
(EINECS) number :304-293-9
molar refractivity :52.82 ± 0.3 cm3
parachor :410.7 ± 6.0 cm3
index of refraction :1.542 ± 0.02
surface tension :36.0 ± 3.0 dyne/cm
density :1.063 ± 0.06 g/cm3
polarizability :20.94 ± 0.5 10-24cm3
XlogP : 2.50
molecular weight : 178.2707200 (IUPAC)
formula :C12 H18 O
NMR Predictor :Predict
 
 

Suppliers :
IFF :Dimethyl Cyclormol
≥97% (sum of isomers)
Odor:  Diffusive camphoraceous note with the characteristic earthy, mushroomy effect of patchouli.
Penta :hexahydrodimethyl-4,7-methano(1H)inden-5-ol

organoleptics :
odor type :herbal
odor strength :medium
odor description :¹
at 100.00 %.  
camphor earthy patchouli woody herbal
odor sample from :International Flavors & Fragrances Inc.
substantivity :400  Hour(s)

properties :
appearence :yellow viscous liquid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.03500 to 1.04300 @ 25.00 °C.
pounds per gallon - calc. : 8.612 to 8.679
specific gravity :1.03600 to 1.04400 @ 20.00 °C.
pounds per gallon - calc. : 8.631 to 8.697
refractive index :1.51600 to 1.52400 @ 20.00 °C.
flash point :> 212.00  °F.  TCC  ( > 100.00 °C. )
logP (o/w) : 3.11

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

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

safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
 
 
(EINECS) number :304-293-9
chemidplus :094248212
EPA Substance Registry Services :94248-21-2

references :
pubchem :3798463

other :
reference : Luebke, William tgsc, (1990)¹
synonyms :
 dimethyl cyclormol
3a,4,5,6,7,7a-hexahydro-2,6(or 3,6)-dimethyl-4,7-methano-1H-inden-5-ol
3alpha,4,5,6,7,7a-hexahydro-2(or 3),4-dimethyl-4,7-methano-1H-indene
 hexahydrodimethyl methanoinden-5-ol

soluble in :
 alcohol

insoluble in :
 water

stability :
 acid cleaner
 alcoholic lotion
 antiperspirant
 deo stick
 fabric softener
 hard surface cleaner
 shampoo
 soap

(odor and/or flavor) blends with :
1-allyl-2,2,7,7-tetramethyl cycloheptanol
 anise indene
3-benzyl-4-heptanone
 borneol
laevo-borneol
 bornyl formate
isobornyl methyl ether
isobornyl propionate
 buchu leaf oil
2-tert-butyl cyclohexanone
para-tert-butyl cyclohexanone
 camphene
 carvacrol
 cedarleaf oil terpeneless
alpha-cedrene epoxide
 cinnamon acrolein
 cistus oil
isocyclocitral
8,9-dehydrotheaspirone
 dihydro-alpha-ionone
dextro-fenchone
 geranium concrete
 geranium oil moroccan
 herbal dioxane
 herbal ketone
 herbal norbornane
 hinoki root oil
 hydroxymethyl hexyl ethyl ketone
(Z)-jasmone
 lavandin concrete
 marine formate
 methyl cyclogeranate
 methyl delta-ionone
 methyl hexyl ketone
para-methyl hydratropaldehyde
1-methyl pyrrole
2-methyl-3-buten-2-ol
2-nonanone
 ocimene quintoxide
1,5-octadien-3-ol
(Z)-4-octen-1-ol
isooctyl acetate
 oregano oleoresin
 origanum oil
 origanum oil turkey
 patchouli ethanol
 patchouli hexanol
 patchouli oil china
 peppermint cyclohexanone
 petitgrain bigarade oil
 pinacol
 pine hexanol
 pinocarveol
 polylimonene
 propyl 2-furoate
4-isopropyl-2-cyclohexenone
 rosemary absolute
 rosemary oil
 rosemary oil morocco
 sassafras oil
 spathulenol
 spruce oil
 thyme oil wild or creeping
2-tridecanone
 woody dodecane
 woody epoxide
 woody ether
 woody ketone

(odor and/or flavor) used in :
 diffusion
 earth humus
 fern fougere
 herbal
 leather
 oriental
 patchouli
 quorum
 woody

natural occurrence in :
not found in nature



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