dehydrolinalool
 
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IUPAC name :(5E)-3,7-dimethylocta-1,5,7-trien-3-ol
InChI :InChI=1/C10H16O/c1-5-10(4,11)8-6-7-9(2)3/h5-7,11H,1-2,8H2,3-4H3/b7-6+
InChIKey :ZJIQIJIQBTVTDY-VOTSOKGWBM
SMILES :CC(=C)\C=C\CC(C)(C=C)O
(EINECS) number :249-975-6
cas number :29957-43-5
fema number :3830
coe number :10202
fl. number :02.146
molar refractivity :49.22 ± 0.3 cm3
parachor :403.2 ± 4.0 cm3
index of refraction :1.475 ± 0.02
surface tension :28.3 ± 3.0 dyne/cm
density :0.871 ± 0.06 g/cm3
polarizability :19.51 ± 0.5 10-24cm3
xlogp : 2.40
molecular weight : 152.2334400
formula :C10 H16 O
 
 
export tariff code :unspecified
fda reg :unspecified
 

organoleptics :
odor type :fungal
odor strength :medium
odor description :
at 100.00 %.  
mouldy

properties :
appearence :colorless clear liquid
assay : 93.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.87700 to 0.88400 @ 25.00 °C.
pounds per gallon - calc. : 7.298 to 7.356
refractive index :1.45800 to 1.46800 @ 20.00 °C.
boiling point : 62.00 °C. @ 4.50 mm Hg
acid value : 1.00  max.  KOH/g

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) :not determined
recommendation for dehydrolinalool usage levels up to :
  2.0000 % in the fragrance concentrate.

safety references :
EPI System :view
 
 
 (5E)-3,7-dimethylocta-1,5,7-trien-3-ol
(EINECS) number :249-975-6
chemidplus :029957435
EPA Substance Registry Services :29957-43-5
NLM Chemical Carcinogenesis Research Information System :29957-43-5
NLM Developmental and Reproductive Toxicity :29957-43-5
NLM Env. Mutagen Info. Center :29957-43-5
NLM GENetic TOXicology :29957-43-5

references :
 (5E)-3,7-dimethylocta-1,5,7-trien-3-ol
fl. number :02.146
pubchem :698259
NIST Chemistry WebBook :2559313245

other :
synonyms :
 dehydrolinalool
3,7-dimethyl octa-1,5,7-trien-3-ol
3,7-dimethyl-1,5,7-octatrien-3-ol

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
 bois de rose leaf oil brazil
 bois de rose oil
 bois de rose oil terpeneless
 citronellyl butyrate
 coranol
 coriander seed oil
 cubeb oil
 dihydrolinalool
3,6-dimethyl-3-octanol
 ethyl linalyl acetate
 floral pyranol
 ho leaf oil
 ho wood oil
 linalool
 linalyl anthranilate
 muguet carbinol
 octyl phenyl acetate
 perilla alcohol
 tetrahydrolinalool

natural occurrence in :
ho leaf oil



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Html Last modified 11/29/2008