thyme undecane
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Notes :
Blends well with green and minty notes. Gives depth and diffusion to aldehydic, floral, chypre and leather. Adds freshness to agrumen and citrus notes.
 
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IUPAC name :3,3-dimethyl-1,5-dioxaspiro[5.5]undecane
InChI :InChI=1/C11H20O2/c1-10(2)8-12-11(13-9-10)6-4-3-5-7-11/h3-9H2,1-2H3
InChIKey :QIFSGRPJUXQGMD-UHFFFAOYAR
SMILES :CC1(COC2(CCCCC2)OC1)C
cas number :707-29-9
(EINECS) number :211-898-0
molar refractivity :52.38 ± 0.4 cm3
parachor :444.8 ± 6.0 cm3
index of refraction :1.474 ± 0.03
surface tension :32.5 ± 5.0 dyne/cm
density :0.98 ± 0.1 g/cm3
polarizability :20.76 ± 0.5 10-24cm3
XlogP : 2.60
molecular weight : 184.2753000
formula :C11 H20 O2
BioActivity Analysis :72970
NMR Predictor :Predict
 
 
export tariff code :2932.99.0000
fda reg :unspecified

Suppliers :
John D. Walsh :Thymoxane

organoleptics :
odor type :herbal
odor strength :high ,
recommend smelling in a 10.00 % solution or less
odor description :¹
at 10.00 % in dipropylene glycol.  
fresh thyme herbal leather tobacco animal sweet
odor sample from :Bush Boake Allen Inc
substantivity :16  Hour(s)

properties :
appearence :colorless to pale yellow clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.98100 to 0.98400 @ 20.00 °C.
pounds per gallon - calc. : 8.172 to 8.197
refractive index :1.46100 to 1.46400 @ 20.00 °C.
boiling point : 213.00 to 214.00 °C. @ 760.00 mm Hg
flash point : 194.00  °F.  TCC  ( 90.00 °C. )
logP (o/w) : 2.67

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

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

safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
 
 
 3,3-dimethyl-1,5-dioxaspiro[5.5]undecane
(EINECS) number :211-898-0
chemidplus :000707299
EPA Substance Registry Services :707-29-9
dtp/nci :7021

references :
 3,3-dimethyl-1,5-dioxaspiro[5.5]undecane
pubchem :211902

Cosmetics :
Cosmetic uses : perfuming agents

other :
reference : Luebke, William tgsc, (1985)¹
CosIng :cosmetic data
synonyms :
3,3-dimethyl-1,5-dioxaspiro(5.5)undecane
3,3-dimethyl-1,5-dioxaspiro[5.5]undecane
3,3-dimethyl-1,5-dioxaspiroundecane
 thymoxane

soluble in :
 alcohol

insoluble in :
 water

stability :
 antiperspirant
 bleach
 detergent
 soap

(odor and/or flavor) blends with :
 armoise oil
 green and minty notes
 lavender absolute
 patchouli oil
 sage oil

(odor and/or flavor) used in :
 aldehydic
 citrus
 fresh
 herbal
 leather
 lifter
 patchouli
 sage
 thyme

natural occurrence in :
not found in nature



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