citronellal diisotridecyl acetal
 
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IUPAC name :1-[3,7-dimethyl-1-(11-methyldodecoxy)oct-6-enoxy]-11-methyldodecane
InChI :InChI=1/C36H72O2/c1-32(2)25-20-16-12-8-10-14-18-22-29-37-36(31-35(7)28-24-27-34(5)6)38-30-23-19-15-11-9-13-17-21-26-33(3)4/h27,32-33,35-36H,8-26,28-31H2,1-7H3
InChIKey :IOROHSYUWTZOFC-UHFFFAOYAY
SMILES :CC(C)CCCCCCCCCCOC(CC(C)CCC=C(C)C)OCCCCCCCCCCC(C)C
(EINECS) number :267-786-7
cas number :67923-82-4
molar refractivity :172.05 ± 0.3 cm3
parachor :1476.6 ± 4.0 cm3
index of refraction :1.458 ± 0.02
surface tension :30.1 ± 3.0 dyne/cm
density :0.851 ± 0.06 g/cm3
polarizability :68.20 ± 0.5 10-24cm3
xlogp : 13.70
molecular weight : 536.9556800
formula :C36 H72 O2
 
 
export tariff code :2911.00.5000
fda reg :unspecified
 

organoleptics :
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  
fresh rose fruity minty

properties :
appearence :pale yellow clear liquid
assay : 94.00 to 100.00 %   
Food Chemicals Codex Listed :No
logp : 16.40

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) :not determined
recommendation for citronellal diisotridecyl acetal usage levels up to :
  1.0000 % in the fragrance concentrate.
recommendation for citronellal diisotridecyl acetal usage levels up to :
 not for flavor use.

safety links :
 
 
(EINECS) number :267-786-7
chemidplus :067923824
EPA Substance Registry Services :67923-82-4
NLM Chemical Carcinogenesis Research Information System :67923-82-4
NLM Developmental and Reproductive Toxicity :67923-82-4
NLM Env. Mutagen Info. Center :67923-82-4
NLM GENetic TOXicology :67923-82-4
EPI System :view

other :

references :
pubchem :683463
synonyms :
 citrocyl
 citronellal diisotridecyl acetal
1,1'-((3,7-dimethyl-6-octenylidene) bis(oxy)) bisisotridecane
 neorosal 16 G

soluble in :
 alcohol

insoluble in :
 water

stability :
 alkalis

(odor and/or flavor) blends with :
 allyl isononylate
 benzyl isobutyrate
 butyl angelate
 carvyl propionate
 cassis buteneone
 citronellyl acetate
laevo-citronellyl acetate
 citronellyl anthranilate
 citronellyl hexanoate
(E)-citronellyl tiglate
beta-cyclocitral
 cyclohexyl ethyl acetate
beta-damascenone
delta-damascone
2-decalinol
 dimethyl benzyl carbinyl acetate
 dimethyl octanyl acetate
 ethyl linalyl acetate
 ethyl nonanoate
 ethyl ortho-anisate
(E)-ethyl tiglate
 geraniol
 geranium absolute
 geranium cyclohexane
 geranium oil china
 geranyl butyrate
 geranyl isobutyrate
 geranyl octanoate
 geranyl propionate
 geranyl valerate
 hexyl phenyl acetate
 lilac lactone
 limonen-10-yl acetate
 linalyl formate
 menthyl acetate
dextro,laevo-menthyl acetate
laevo-menthyl acetate
 muguet butanol
 octyl formate
 phenethyl isobutyrate
 phenethyl isovalerate
 phenethyl propionate
 phenethyl valerate
 rhodinyl butyrate
 santalyl butyrate

(odor and/or flavor) used in :
 floral
 fruit
 melissa balm
 rose

natural occurrence in :
not found in nature



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Html Last modified 11/23/2008