(E)-3-nonen-2-one
 
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IUPAC name :(E)-non-3-en-2-one
InChI :InChI=1/C9H16O/c1-3-4-5-6-7-8-9(2)10/h7-8H,3-6H2,1-2H3/b8-7+
InChIKey :HDKLIZDXVUCLHQ-BQYQJAHWBQ
SMILES :CCCCC\C=C\C(=O)C
cas number :18402-83-0
molar refractivity :43.83 ± 0.3 cm3
parachor :382.4 ± 4.0 cm3
index of refraction :1.435 ± 0.02
surface tension :26.9 ± 3.0 dyne/cm
density :0.835 ± 0.06 g/cm3
polarizability :17.37 ± 0.5 10-24cm3
xlogp : 3.10
molecular weight : 140.2227400
formula :C9 H16 O
 
 
export tariff code :unspecified
fda reg :unspecified
 
organoleptics :
properties :
appearence :colorless clear liquid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.84800 @ 25.00 °C.
refractive index :1.44900 @ 20.00 °C.
boiling point : 85.00 to 86.00 °C. @ 12.00 mm Hg
boiling point : 201.00 to 202.00 °C. @ 760.00 mm Hg
logp : 2.69
safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) : 178.00  °F.  TCC  ( 81.11 °C. )
recommendation for (E)-3-nonen-2-one usage levels up to :
 not for flavor use.
safety references :
EPI System :view
 
 
 (E)-non-3-en-2-one
chemidplus :018402830
EPA Substance Registry Services :18402-83-0
NLM Chemical Carcinogenesis Research Information System :18402-83-0
NLM Developmental and Reproductive Toxicity :18402-83-0
NLM Env. Mutagen Info. Center :18402-83-0
NLM GENetic TOXicology :18402-83-0
references :
 (E)-non-3-en-2-one
pubchem :754192
NIST Chemistry WebBook :2045185560
other :
synonyms :
(E)-3-nonen-2-one
trans-3-nonen-2-one
soluble in :
 alcohol
insoluble in :
 water
natural occurrence in :
data pagecistus oil @ 0.7%



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