dihydrocitronellyl ethyl ether
 
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IUPAC name :1-ethoxy-3,7-dimethyloctane
InChI :InChI=1/C12H26O/c1-5-13-10-9-12(4)8-6-7-11(2)3/h11-12H,5-10H2,1-4H3
InChIKey :HCHHIPCZJSRFRT-UHFFFAOYAT
SMILES :CCOCCC(C)CCCC(C)C
(EINECS) number :245-237-2
cas number :22810-10-2
molar refractivity :59.30 ± 0.3 cm3
parachor :524.0 ± 4.0 cm3
index of refraction :1.421 ± 0.02
surface tension :25.2 ± 3.0 dyne/cm
density :0.797 ± 0.06 g/cm3
polarizability :23.51 ± 0.5 10-24cm3
xlogp : 5.10
molecular weight : 186.3342400
formula :C12 H26 O
 
 
export tariff code :unspecified
fda reg :unspecified
 

organoleptics :
odor type :floral
odor strength :medium
odor description :
at 100.00 %.  
fresh clean rose citrus green
substantivity :64  Hour(s)

properties :
appearence :colorless clear liquid
assay : 90.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.80800 to 0.81900 @ 25.00 °C.
pounds per gallon - calc. : 6.723 to 6.815
specific gravity :0.80900 to 0.82000 @ 20.00 °C.
pounds per gallon - calc. : 6.740 to 6.831
refractive index :1.43500 to 1.44500 @ 20.00 °C.
logp : 4.86

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) : 184.00  °F.  TCC  ( 84.44 °C. )
recommendation for dihydrocitronellyl ethyl ether usage levels up to :
  15.0000 % in the fragrance concentrate.
recommendation for dihydrocitronellyl ethyl ether usage levels up to :
 not for flavor use.

safety references :
EPI System :view
 
 
 1-ethoxy-3,7-dimethyloctane
(EINECS) number :245-237-2
chemidplus :022810102
EPA Substance Registry Services :22810-10-2
NLM Chemical Carcinogenesis Research Information System :22810-10-2
NLM Developmental and Reproductive Toxicity :22810-10-2
NLM Env. Mutagen Info. Center :22810-10-2
NLM GENetic TOXicology :22810-10-2

references :
 1-ethoxy-3,7-dimethyloctane
pubchem :667591

other :
synonyms :
 dihydrocitronellyl ethyl ether
3,7-dimethyl octyl ethyl ether
1-ethoxy-3,7-dimethyl octane

soluble in :
 alcohol

insoluble in :
 water

stability :
 very stable, better than the acetals

(odor and/or flavor) blends with :
alpha-amyl cinnamyl alcohol
 citral diethyl acetal
 citronellal
 citronellyl acetate
 citronellyl butyrate
 citronellyl ethyl ether
 citrus carbaldehyde / methyl anthranilate schiff's base
 citrus propanol
gamma-damascone
2-decalinol
 decanal dimethyl acetal
(E,E,Z)-2,4,7-decatrien-1-al
2,4,7-decatrien-1-al
2-decen-1-ol
 dihydrolinalool
 dimethyl benzyl carbinol
 dimethyl octanyl acetate
 ethyl formate
(E)-ethyl geranate
(Z)-beta-farnesene
 geranium absolute
(Z)-geranyl ethyl ether
 geranyl formate
 green carboxylate
 green hexanal
(Z)-3-hexen-1-yl oxyacetaldehyde
(Z)-3-hexen-1-yl phenyl acetate
 ivy carbaldehyde
2,4-ivy carbaldehyde
3,5-ivy carbaldehyde
3,6-ivy carbaldehyde
 leather cyclohexanol
(Z)-linalool oxide (pyranoid)
 linalyl acetate
dextro-linalyl acetate
laevo-linalyl acetate
 linalyl formate
 marine carbonitrile
 melon heptenal propylene glycol acetal
 methyl acetoacetate
 methyl heptenone
alpha-methylene citronellal
 muguet carbinol
 narcissus acetate
 nerolidol
(E,E)-2,6-nonadien-1-al
 nonanal dimethyl acetal
 octanal diethyl acetal
 octanal dimethyl acetal
(E)-2-octen-1-ol
 phenethyl formate
 phenethyl isopropyl ether
 phenethyl oxyacetaldehyde
 phenethyl tiglate
 phenyl propyl phenyl acetate
(Z)-rose oxide
 rose pyran
 tangerine acetate
 undecanal
N-/i-undecanal

(odor and/or flavor) used in :
 citrus
 clean
 cologne
 floral
 geranium
 lavender
 lemon
 magnolia
 mandarin
 verbena verveine

natural occurrence in :
not found in nature



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Html Last modified 11/29/2008