citral ethylene glycol acetal
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IUPAC name :2-(2,6-dimethylhepta-1,5-dienyl)-1,3-dioxolane
InChI :InChI=1/C12H20O2/c1-10(2)5-4-6-11(3)9-12-13-7-8-14-12/h5,9,12H,4,6-8H2,1-3H3
InChIKey :KSDZVTNRVWBTFN-UHFFFAOYAG
SMILES :CC(=CCCC(=CC1OCCO1)C)C
cas number :66408-78-4
(EINECS) number :266-344-0
molar refractivity :60.33 ± 0.3 cm3
parachor :480.3 ± 4.0 cm3
index of refraction :1.518 ± 0.02
surface tension :33.9 ± 3.0 dyne/cm
density :0.986 ± 0.06 g/cm3
polarizability :23.91 ± 0.5 10-24cm3
XlogP : 2.60
XlogP3-AA : 3.20
molecular weight : 196.2860000 (IUPAC)
formula :C12 H20 O2
NMR Predictor :Predict
 
 
IUPAC name :2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1,3-dioxolane
InChI :InChI=1/C12H20O2/c1-10(2)5-4-6-11(3)9-12-13-7-8-14-12/h5,9,12H,4,6-8H2,1-3H3/b11-9+
InChIKey :KSDZVTNRVWBTFN-PKNBQFBNBH
SMILES :CC(=CCC/C(=C/C1OCCO1)/C)C
cas number :66408-78-4  (E)
molar refractivity :60.33 ± 0.3 cm3
parachor :480.3 ± 4.0 cm3
index of refraction :1.518 ± 0.02
surface tension :33.9 ± 3.0 dyne/cm
density :0.986 ± 0.06 g/cm3
polarizability :23.91 ± 0.5 10-24cm3
XlogP : 2.60
XlogP3-AA : 3.20
molecular weight : 196.2860000 (IUPAC)
formula :C12 H20 O2
NMR Predictor :Predict
 
 
export tariff code :2911.00.5000
fda reg :unspecified
Suppliers :
Penta :citral ethylene glycol acetal
organoleptics :
odor type :citrus
odor strength :medium
odor description:
at 100.00 %.  		fresh floral lemon clean
Luebke, William tgsc, (1989)
odor sample from :Bedoukian Research, Inc.
substantivity :12  Hour(s)
properties :
appearence :colorless to yellow clear liquid
assay : 95.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.94200 to 0.95200 @ 25.00 °C.
pounds per gallon - calc. : 7.838 to 7.922
refractive index :1.47300 to 1.48300 @ 20.00 °C.
boiling point : 146.00 °C. @ 4.00 mm Hg
flash point : 200.00  °F.  TCC  ( 93.33 °C. )
logP (o/w) : 3.21
safety :
Oral Toxicity(LD50) : 
  Oral-Rat    >5000.00  mg/kg
Food and Cosmetics Toxicology. Vol. 17, Pg. 749, 1979.

Dermal Toxicity(LD50) : 
  Skin-Rabbit  >5000.00  mg/kg
Food and Cosmetics Toxicology. Vol. 17, Pg. 749, 1979.

Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :fragrance agents
 
recommendation for citral ethylene glycol acetal fragrance usage levels up to :
  5.0000 % in the fragrance concentrate.
recommendation for citral ethylene glycol acetal flavor usage levels up to :
 not for flavor use.
safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
 
 
 
2-(2,6-dimethylhepta-1,5-dienyl)-1,3-dioxolane
(EINECS) number :266-344-0
chemidplus :66408-78-4
EPA Substance Registry Services :66408-78-4
 
2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1,3-dioxolane
references :
 
2-(2,6-dimethylhepta-1,5-dienyl)-1,3-dioxolane
pubchem :34712862
 
2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1,3-dioxolane
pubchem :187125
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
RIFM :listed
FMA :listed
synonyms :
 citracetal
2-(2,6-dimethyl-1,5-heptadienyl)-1,3-dioxolane
2-(2,6-dimethylhepta-1,5-dienyl)-1,3-dioxolane
soluble in :
 alcohol
insoluble in :
 water
stability :
 alkalis
potential blenders :    note
 acetaldehyde citronellyl methyl acetalFR
 aldehydic nitrileFR
alpha-amyl cinnamaldehyde dimethyl acetalFL/FR
isoamyl geranateFR
 amyl heptanoateFL/FR
 autumn carboxylateFR
beta-bisabololFL/FR
 bois de rose oilFL/FR
 cedrat peel oilFL/FR
 citralFL/FR
 citral / methyl anthranilate schiff's baseFR
 citral diethyl acetalFL/FR
 citral dimethyl acetalFL/FR
 citral propylene glycol acetalFL/FR
 citronella oilFL/FR
 citronellyl benzoateFL/FR
 citronellyl nitrileFR
 citrus nitrileFR
 coranolFR
 cubeb oilFL/FR
 cyclohexyl ethyl alcoholFL/FR
isodecanalFL/FR
 decyl acetateFL/FR
 dihydrolinaloolFL/FR
 dimethyl benzyl carbinolFL/FR
3,6-dimethyl-3-octanolFL/FR
(E+Z)-4,8-dimethyl-3,7-nonadien-2-olFL/FR
(E+Z)-4,8-dimethyl-3,7-nonadien-2-yl acetateFL
 elemi gumFL/FR
 elemi oilFL/FR
 elemi resinoidFL/FR
 ethyl linaloolFR
 ethyl linalyl acetalFR
 ethyl linalyl acetateFR
 ethyl linalyl etherFL/FR
 fenchyl alcoholFL/FR
 floral pyranolFR
 geranyl nitrileCS
homogeranyl nitrileFR
2-heptanolFL/FR
 heptyl phenyl acetateFL/FR
 ho leaf oilFR
 ho wood oilFR
 hydroxycitronellolFL/FR
 kauri-copal leaf oil 
 kauri-copal oil 
 lemon hexadieneFL/FR
 lemon oilFL/FR
 lemon oil c.p. furo coumarin freeFL/FR
 lemon oil distilledFL/FR
 lemon oil expressedFL/FR
 lemon oil terpenelessFL/FR
 lemongrass oilFL/FR
 lemongrass oil guatemalaFL/FR
 lemongrass oil moroccoFL/FR
 linaloolFL/FR
dextro-linaloolFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 linalyl anthranilateFL/FR
 litsea cubeba oilFL/FR
 litsea cubeba oil terpenelessFL/FR
 marine carbonitrileFR
4-mercapto-4-methyl-2-pentanolFL
 methyl heptenoneFL/FR
2-methyl undecanal dimethyl acetalFR
(Z+E)-2-methyl-2-(4-methyl-3-pentenyl) cyclopropane carbaldehydeFL/FR
 muguet carboxaldehydeFR
 muguet shiseolFL/FR
 neroli ketoneFL/FR
 nonanalFL/FR
 ocimenolFL/FR
 octyl phenyl acetateFL/FR
 petitgrain combava oilCS
 phenyl amyl alcoholFL/FR
 rhodinyl propionateFL/FR
alpha-terpineneFL/FR
gamma-terpineneFL/FR
 tetrahydrocitralFL/FR
 tetrahydrolinaloolFL/FR
 trimethyl cyclohexeneFR
(Z)-8-undecen-1-alFR
 verbena oilFL
 verbena oil spainFL/FR
 verbena oil terpenelessFL/FR
potential uses :
 bergamot
 citrus
 floral
 green
 lemon
natural occurrence in :    note
 not found in nature  

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