(Z)-tagetone
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IUPAC name :(5Z)-2,6-dimethylocta-5,7-dien-4-one
InChI :InChI=1/C10H16O/c1-5-9(4)7-10(11)6-8(2)3/h5,7-8H,1,6H2,2-4H3/b9-7-
InChIKey :RJXKHBTYHGBOKV-CLFYSBASBQ
SMILES :CC(C)CC(=O)\C=C(\C)/C=C
cas number :3588-18-9
(EINECS) number :222-725-3
molar refractivity :47.99 ± 0.3 cm3
parachor :404.8 ± 4.0 cm3
index of refraction :1.447 ± 0.02
surface tension :25.8 ± 3.0 dyne/cm
density :0.847 ± 0.06 g/cm3
polarizability :19.02 ± 0.5 10-24cm3
XlogP : 2.80
molecular weight : 152.2334400
formula :C10 H16 O
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
organoleptics :
properties :
appearence :pale yellow clear liquid
assay : 96.00 to 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 221.00 to 223.00 °C. @ 760.00 mm Hg
flash point : 187.00  °F.  TCC  ( 86.11 °C. )
safety :
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
 
safety references :
EPI System :view
 
 
 
 (5Z)-2,6-dimethylocta-5,7-dien-4-one
(EINECS) number :222-725-3
chemidplus :003588189
EPA Substance Registry Services :3588-18-9
references :
 (5Z)-2,6-dimethylocta-5,7-dien-4-one
NIST Chemistry WebBook :1580036595
pubchem :10532463
other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
(Z)-2,6-dimethyl octa-5,7-dien-4-one
(Z)-2,6-dimethyl-5,7-octadien-4-one
(5Z)-2,6-dimethylocta-5,7-dien-4-one
cis-tagetone
soluble in :
 alcohol
insoluble in :
 water
natural occurrence in :
data pageboronia absolute @ 0.03%
data pagecistus oil @ 0.2%
data pagetagete flower oil rwanda @ 46.00%
data pagetagete oil CO2 extract @ 0.34%
data pagetagete oil egypt @ 0.95%
data pagetagete oil rwanda @ 35.40%
data pagetagete oil turkey @ 0.25%
data pagetagete oil zambia @ 14.10%



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