4-acetyl-1,4-dimethyl-1-cyclohexene
 
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IUPAC name :1-(1,4-dimethyl-1-cyclohex-3-enyl)ethanone
InChI :InChI=1/C10H16O/c1-8-4-6-10(3,7-5-8)9(2)11/h4H,5-7H2,1-3H3
InChIKey :BIUSXTISNNLMOR-UHFFFAOYAK
SMILES :CC1=CCC(CC1)(C)C(=O)C
(EINECS) number :256-150-4
cas number :43219-68-7
fema number :3449
coe number :11062
jecfa number :402
fl. number :07.116
molar refractivity :45.79 ± 0.3 cm3
parachor :386.2 ± 6.0 cm3
index of refraction :1.459 ± 0.02
surface tension :28.3 ± 3.0 dyne/cm
density :0.909 ± 0.06 g/cm3
polarizability :18.15 ± 0.5 10-24cm3
xlogp : 1.80
molecular weight : 152.2334400
formula :C10 H16 O
 
 
fda reg :unspecified h. number :unspecified
organoleptics : 
odor type :fruity
odor strength :medium
odor description :
at 100.00 %.  
fruity
properties : 
appearence :colorless clear liquid
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.93000 - 0.93600 @ 25.00 °C.
pounds per gallon - calc. : 7.739 to 7.788
refractive index :1.46800 - 1.47300 @ 20.00 °C.
boiling point : 208.00 - 211.00 °C. @ 760.00 mm Hg
logp : 2.73
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 163.00  °F.  TCC  ( 72.78 °C. )
  
recommendation for 4-acetyl-1,4-dimethyl-1-cyclohexene usage levels up to :
  2.0000 % in the fragrance concentrate.
  
safety links : 
(EINECS) number :256-150-4
toxnet :43219-68-7
epa-srs :43219-68-7
pubchem :43219-68-7
  
other : 
 
references : 
synonyms :
4-acetyl-1,4-dimethyl-1-cyclohexene
1-(1,4-dimethyl cyclohex-3-en-1-yl) ethan-1-one
1,4-dimethyl cyclohex-3-enyl methyl ketone
1-(1,4-dimethyl-1-cyclohex-3-enyl) ethanone
1,4-dimethyl-4-acetyl-1-cyclohexene
1,4-dimethyl-delta.-3-tetrahydroacetophenone
soluble in :
 alcohol
insoluble in :
 water
natural occurrence in :
 not found in nature



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