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
cas number :6413-26-9
(EINECS) number :229-115-6
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
NMR Predictor :Predict
 
 
export tariff code :2932.99.0000
fda reg :unspecified

Suppliers :
IFF :Spirodecane
≥95% (major peak)
Odor:  A cost effective herbal, campherous top note with a thujone-like character

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 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.99000 to 0.99600 @ 25.00 °C.
pounds per gallon - calc. : 8.238 to 8.288
refractive index :1.46000 to 1.46400 @ 20.00 °C.
boiling point : 207.00 to 208.00 °C. @ 760.00 mm Hg
vapor pressure :0.32300 mm/Hg @ 25.00 °C.
flash point : 171.00  °F.  TCC  ( 77.22 °C. )
logP (o/w) : 3.54

safety :
most important hazard(s) :Xi - Irritant
  R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 37/39 - Wear suitable gloves and eye/face protection.
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
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 references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 2-methyl-1,5-dioxaspiro[5.5]undecane
(EINECS) number :229-115-6
chemidplus :006413269
EPA Substance Registry Services :6413-26-9
dtp/nci :46270

references :
 2-methyl-1,5-dioxaspiro[5.5]undecane
pubchem :675077

Cosmetics :
Cosmetic uses : perfuming agents

other :
CosIng :cosmetic data
synonyms :
 cyclohexanone 1,3-butylene glycol ketal
2-methyl-1,5-dioxaspiro(5.5)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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