6-methyl-3-hepten-2-one
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IUPAC name :(E)-6-methylhept-3-en-2-one
InChI :InChI=1/C8H14O/c1-7(2)5-4-6-8(3)9/h4,6-7H,5H2,1-3H3/b6-4+
InChIKey :RSNMTAYSENLHOW-GQCTYLIABC
SMILES :CC(C)C\C=C\C(=O)C
cas number :2009-74-7
fl. number :07.258
molar refractivity :39.15 ± 0.3 cm3
parachor :340.0 ± 4.0 cm3
index of refraction :1.429 ± 0.02
surface tension :25.2 ± 3.0 dyne/cm
density :0.831 ± 0.06 g/cm3
polarizability :15.52 ± 0.5 10-24cm3
XlogP : 2.50
molecular weight : 126.1961600 (IUPAC)
formula :C8 H14 O
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
organoleptics :
odor description:
oily green herbal
properties :
appearence :colorless clear liquid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.84000 to 0.85000 @ 25.00 °C.
pounds per gallon - calc. : 6.990 to 7.073
refractive index :1.43800 to 1.44700 @ 20.00 °C.
boiling point : 174.00 to 178.00 °C. @ 760.00 mm Hg
flash point : 144.00  °F.  TCC  ( 62.22 °C. )
logP (o/w) : 1.97
safety :
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
 
safety references :
EPI System :view
 
 
 
 
(E)-6-methylhept-3-en-2-one
chemidplus :002009747
EPA Substance Registry Services :2009-74-7
references :
 
(E)-6-methylhept-3-en-2-one
fl. number :07.258
NIST Chemistry WebBook :809870182
pubchem :713603
other :
synonyms :
6-methyl hept-3-en-2-one
(E)-6-methylhept-3-en-2-one
6-methylhept-3-en-2-one
soluble in :
 alcohol
insoluble in :
 water
potential blenders :
6-acetoxydihydrotheaspiraneFL/FR
alpha-amyl cinnamyl formateFL/FR
 bark carbaldehydeFR
 basil absolute sweetFL/FR
isobutyl angelateFL/FR
isobutyl heptanoateFL/FR
isobutyl methyl ketoneFL/FR
isobutyl quinolineFR
2-sec-butyl thiazoleFL/FR
4-butyl thiazoleFL
alpha-campholenic aldehydeFL/FR
 chamomile oilFL/FR
 cinnamyl formateFL/FR
 coriander heptenolFL/FR
(-)-cubenolFL/FR
 cuminaldehydeFL/FR
isocyclogeraniolFR
 dihydrorose oxideFR
 dill weed oilFL/FR
 dill weed oil cubaFL/FR
 dill weed oil reunionFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 dimethyl benzyl carbinyl formateFL/FR
2,4-dimethyl-3-cyclohexene-1-methanolFR
 dipentene terpene hydrocarbon byproductsFL/FR
 estragoleFL
 ethyl 4-pentenoateFL/FR
 fig leaf absoluteFL
 geranium oil africaFL/FR
 geranium oil egyptFL/FR
delta-heptalactoneFL/FR
 heptanalFL/FR
 heptanolFL/FR
1-hepten-3-olFL/FR
 heptyl octanoateFL/FR
 herbal cyclohexaneFR
 herbal dioxaneFR
 herbal heptaneFR
(E,E)-2,4-hexadien-1-olFL
(E)-4-hexen-1-olFL/FR
(Z)-4-hexen-1-olFL/FR
3-hexen-1-yl 2-methyl butyrateFL/FR
 hexyl hexanoateFL/FR
 hop absoluteFL/FR
 hop oilFL/FR
 ivy leaf absoluteFR
 linalyl formateFL/FR
 linalyl octanoateFL/FR
 methyl epi-jasmonateFL/FR
 methyl jasmonateFL/FR
(E)-6-methyl-3-hepten-2-oneFL/FR
 neryl formateFL/FR
 nonisyl formateFR
(E)-2-octen-1-alFL/FR
3-octen-1-yl acetateFL/FR
 origanum oilFL
 origanum oil turkeyFL
2-pentyl cyclopentanoneFR
 perillaldehydeFL/FR
isophytolFL/FR
 privet dioxaneFR
2-propyl thiazoleFL
isopulegolFL/FR
 reseda absoluteFR
 rose pyranFR
 seaweed absoluteFL/FR
 tagete flower oil rwandaFL/FR
 tagete oilFL/FR
 tagete oil CO2 extractFL/FR
 theaspiraneFL/FR
alpha-thujeneFL/FR
 timber dioxolaneFR
 treemoss absoluteFR
 tricyclodecyl acetateFR
 tropical indeneFR
 viridiflorolFL/FR
 wormwood oilFL/FR
natural occurrence in :
 not found in nature  



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