phenyl acetaldehyde digeranyl acetal
 
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IUPAC name :2,2-bis[(2E)-3,7-dimethylocta-2,6-dienoxy]ethylbenzene
InChI :InChI=1/C28H42O2/c1-23(2)12-10-14-25(5)18-20-29-28(22-27-16-8-7-9-17-27)30-21-19-26(6)15-11-13-24(3)4/h7-9,12-13,16-19,28H,10-11,14-15,20-22H2,1-6H3/b25-18+,26-19+
InChIKey :KJTMVMCIPAJMOH-XUWUHCBVBE
SMILES :CC(=CCC/C(=C/COC(CC1=CC=CC=C1)OC\C=C(/C)\CCC=C(C)C)/C)C
(EINECS) number :266-805-6
cas number :67634-02-0
molar refractivity :131.51 ± 0.3 cm3
parachor :1049.8 ± 4.0 cm3
index of refraction :1.510 ± 0.02
surface tension :32.6 ± 3.0 dyne/cm
density :0.935 ± 0.06 g/cm3
polarizability :52.13 ± 0.5 10-24cm3
xlogp : 6.40
molecular weight : 410.6318800
formula :C28 H42 O2
 
 
export tariff code :2911.00.5000
fda reg :unspecified
 

organoleptics :
odor type :floral
odor strength :medium
odor description :
at 100.00 %.  
floral rose absolute geranium balsam

properties :
appearence :pale yellow clear viscous liquid
assay : 96.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.94300 to 0.95000 @ 25.00 °C.
pounds per gallon - calc. : 7.847 to 7.905
specific gravity :0.94400 to 0.95100 @ 20.00 °C.
pounds per gallon - calc. : 7.864 to 7.922
refractive index :1.51200 to 1.51800 @ 20.00 °C.
acid value : 1.00  max.  KOH/g
logp : 10.24

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) :> 212.00  °F.  TCC  ( > 100.00 °C. )
recommendation for phenyl acetaldehyde digeranyl acetal usage levels up to :
  10.0000 % in the fragrance concentrate.
recommendation for phenyl acetaldehyde digeranyl acetal usage levels up to :
 not for flavor use.

safety references :
EPI System :view
 
 
 2,2-bis[(2E)-3,7-dimethylocta-2,6-dienoxy]ethylbenzene
(EINECS) number :266-805-6
chemidplus :067634020
EPA Substance Registry Services :67634-02-0
NLM Chemical Carcinogenesis Research Information System :67634-02-0
NLM Developmental and Reproductive Toxicity :67634-02-0
NLM Env. Mutagen Info. Center :67634-02-0
NLM GENetic TOXicology :67634-02-0
dtp/nci :72020

references :
 2,2-bis[(2E)-3,7-dimethylocta-2,6-dienoxy]ethylbenzene
pubchem :682948

other :
synonyms :
(2E)-1-(1-((2E)-3,7-dimethyl octa-2,6-dienoxy)-2-phenyl ethoxy)-3,7-dimethyl octa-2,6-diene
(2,2-bis((3,7-dimethyl-2,6-octadienyl)oxy)ethyl) benzene
(2,2-bis((3,7-dimethyl-2,6-octadienyl)oxy)ethyl)benzene
 phenyger 3091 P
 phenyl acetaldehyde digeranyl acetal
 phenylacetaldehyde digeranyl acetal
 rosetal A

soluble in :
 alcohol

insoluble in :
 water

stability :
 alkalis

(odor and/or flavor) blends with :
 amyl isoeugenol
isoamyl undecylenate
para-anisyl alcohol
 benzophenone
 benzyl alcohol
 benzyl cinnamate
 benzyl propionate
 butyl benzyl ether
 cananga fruit oil
 cananga leaf oil
 cananga oil
 cananga oil china
 cinnamyl cinnamate
 citronellal
 citronellyl acetone
 citronellyl propionate
 cyclohexyl crotonate
 cyclohexyl salicylate
(E)-alpha-damascone
(Z)-alpha-damascone
gamma-damascone
isodecanal
(Z)-4-decen-1-yl acetate
 dihydrocarvyl acetate
 dihydrogeranyl linalool
 ethyl phenyl acetate
(E)-ethyl tiglate
 eucalyptus citriodora oil
 farnesyl acetate
 floral pyran
 floral undecenone
 geranyl acetate
(E)-geranyl linalool
 globulol
 hawthorn ethanol
2-heptyl tetrahydrofuran
(Z)-3-hexen-1-yl benzoate
(Z)-3-hexen-1-yl phenyl acetate
beta-ionol
 methyl 10-undecenal
alpha-methyl cinnamic alcohol
 methyl hydrocinnamate
2-methyl octanal
 musk acetate
 neryl acetate
 neryl isovalerate
 nonanal diethyl acetal
 nonanol
 phenethyl acetate
 phenethyl anthranilate
 phenethyl benzoate
 phenethyl cinnamate
 phenethyl phenyl acetate
 phenethyl salicylate
 phenoxyethanol
 phenyl acetaldehyde
 phenyl acetic acid
3-phenyl propyl propionate
1-phenyl-1-propanol
4-phenyl-3-buten-2-ol
(Z,E)-phytol
 rose acetate
laevo-rose oxide
 sandal cyclopropane
 strawberry glycidate 2
 styralyl propionate
(E)-2-undecen-1-ol
2-undecen-1-ol

(odor and/or flavor) used in :
 diffusion
 floral
 geranium
 honeysuckle chevrefeuille
 hyacinth jacinthe
 rose
 rose white rose
 sweet pea pois de senteur

natural occurrence in :
not found in nature



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Html Last modified 11/29/2008