1,5-octadien-3-ol
 
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IUPAC name :octa-1,5-dien-3-ol
InChI :InChI=1/C8H14O/c1-3-5-6-7-8(9)4-2/h4-6,8-9H,2-3,7H2,1H3
InChIKey :APFBWMGEGSELQP-UHFFFAOYAS
SMILES :C=CC(O)C\C=C\CC
cas number :83861-74-9
fl. number :02.194
molar refractivity :40.38 ± 0.3 cm3
parachor :340.7 ± 4.0 cm3
index of refraction :1.461 ± 0.02
surface tension :28.7 ± 3.0 dyne/cm
density :0.857 ± 0.06 g/cm3
polarizability :16.01 ± 0.5 10-24cm3
xlogp : 2.20
molecular weight : 126.1961600
formula :C8 H14 O
 
 
export tariff code :unspecified
fda reg :unspecified
 

organoleptics :
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description :
at 0.10 % in propylene glycol.  
earthy herbal

properties :
appearence :colorless clear liquid
assay : 98.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
boiling point : 185.00 to 186.00 °C. @ 760.00 mm Hg
logp : 2.19

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) : 162.00  °F.  TCC  ( 72.22 °C. )
recommendation for 1,5-octadien-3-ol usage levels up to :
  0.0500 % in the fragrance concentrate.

safety references :
EPI System :view
 
 
 octa-1,5-dien-3-ol
chemidplus :83861-74-9
EPA Substance Registry Services :83861-74-9
NLM Chemical Carcinogenesis Research Information System :83861-74-9
NLM Developmental and Reproductive Toxicity :83861-74-9
NLM Env. Mutagen Info. Center :83861-74-9
NLM GENetic TOXicology :83861-74-9

references :
 octa-1,5-dien-3-ol
fl. number :02.194
pubchem :83861-74-9

other :
synonyms :
 octa-1,5-dien-3-ol
1,5-octadien-3-ol

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
 bornyl formate
 dihydro-alpha-ionone
dextro-fenchone
 geranium concrete
 geranium oil moroccan
 herbal ketone
 hydroxymethyl hexyl ethyl ketone
2-methyl-3-buten-2-ol
2-nonanone
(Z)-4-octen-1-ol
isooctyl acetate
 oregano oleoresin
 propyl 2-furoate
 spathulenol
2-tridecanone

natural occurrence in :
not found in nature



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Html Last modified 11/29/2008