herbal undecane
 
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IUPAC name :2-methyl-1,5-dioxaspiro[5.5]undecane
InChI :InChI=1/C10H18O2/c1-9-5-8-11-10(12-9)6-3-2-4-7-10/h9H,2-8H2,1H3
InChIKey :AUXQNFDMCKINEC-UHFFFAOYAI
SMILES :CC1CCOC2(O1)CCCCC2
(EINECS) number :229-115-6
cas number :6413-26-9
molar refractivity :47.72 ± 0.4 cm3
parachor :406.4 ± 6.0 cm3
index of refraction :1.473 ± 0.03
surface tension :32.6 ± 5.0 dyne/cm
density :1.00 ± 0.1 g/cm3
polarizability :18.92 ± 0.5 10-24cm3
xlogp : 2.40
molecular weight : 170.2487200
formula :C10 H18 O2
BioActivity Analysis :99703
 
 
export tariff code :2932.99.0000
fda reg :unspecified
 

Suppliers :
International Flavors & Fragrances :Spirodecane
 ≥95% (major peak)
 
 

organoleptics :
odor type :herbal
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  
herbal eucalyptus woody
substantivity :6 hour(s) at 100.00 %

properties :
appearence :colorless to pale yellow clear liquid
assay : 97.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.99000 - 0.99600 @ 25.00 °C.
pounds per gallon - calc. : 8.238 to 8.288
refractive index :1.46000 - 1.46400 @ 20.00 °C.
boiling point : 207.00 - 208.00 °C. @ 760.00 mm Hg
logp : 3.54

safety :
most important hazard(s) : Xi - Irritant
  
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 171.00  °F.  TCC  ( 77.22 °C. )
  
recommendation for herbal undecane usage levels up to :
  5.0000 % in the fragrance concentrate.
  
recommendation for herbal undecane usage levels up to :
 not for flavor use.
  

safety links :
(EINECS) number :229-115-6
chemidplus :006413269
epa-srs :6413-26-9
dtp/nci :46270
  

other :
 

references :
pubchem :675077
  
synonyms :
 cyclohexanone 1,3-butylene glycol ketal
 herbal undecane
2-methyl-1,5-dioxaspiro(5.5)undecane
2-methyl-1,5-dioxaspiroundecane
 spirodecane
soluble in :
 alcohol
insoluble in :
 water
stability :
 alcoholic lotion
 antiperspirant
 bleach
 deo stick
 detergent
 fabric softener
 hard surface cleaner
 shampoo
 soap
(odor and/or flavor) blends with :
isoamyl salicylate
 armoise oil
 bornyl 2-methyl butyrate
isobornyl acetate
 bornyl butyrate
beta-bourbonene
delta-cadinene
gamma-cadinene
alpha-cadinol
(+)-camphene
dextro-camphor
 cedarleaf oil
 cedarleaf oil terpeneless
 cedarleaf oil western red
 cedarwood oil lebanon
 cistus cyclohexanone
 coriander oleoresin
ortho-cresyl salicylate
 currant bud absolute black
 damascone carboxylate
dextro-fenchone
 herbal undecanone
 juniper carboxaldehyde
 karo karounde absolute
 lavender oil france
 lavender oil greece
para-menthane-3,8-diol
gamma-muurolene
 nonisyl propionate
 parsley leaf oil
 pennyroyal oil
 plectranthus glandulosus hook f. leaf oil cameroon
 prenyl salicylate
 sage oil
 sage oleoresin
 tagette carboxylate
 tansy leaf oil dutch
 tansy oil argentina
 tea leaf absolute
alpha-thujone
beta-thujone
 tobacco nonene
 tricyclodecenyl propionate
 woody ketone
(odor and/or flavor) used in :
 armoise
 cedar
 cedarleaf
 eucalyptus
 herbal
 sage
 woody
natural occurrence in :
not found in nature



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