5-ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-one
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :5-ethyl-2,3,4,5-tetramethylcyclohex-2-en-1-one
InChI :InChI=1/C12H20O/c1-6-12(5)7-11(13)9(3)8(2)10(12)4/h10H,6-7H2,1-5H3
InChIKey :WVMYETLAAOQTLM-UHFFFAOYAY
SMILES :CCC1(CC(=O)C(=C(C1C)C)C)C
(EINECS) number :241-403-3
cas number :17369-60-7
fema number :3061
coe number :168
jecfa number :1111
fl. number :07.035
molar refractivity :55.46 ± 0.3 cm3
parachor :460.6 ± 6.0 cm3
index of refraction :1.445 ± 0.02
surface tension :23.9 ± 3.0 dyne/cm
density :0.865 ± 0.06 g/cm3
polarizability :21.98 ± 0.5 10-24cm3
xlogp : 3.20
molecular weight : 180.2866000
formula :C12 H20 O
 
 
fda reg :unspecified h. number :unspecified
organoleptics : 
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in propylene glycol.  
caramel fruity spicy
properties : 
appearence :colorless to pale yellow clear oily liquid
assay : 97.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.92700 - 0.93400 @ 25.00 °C.
pounds per gallon - calc. : 7.714 to 7.772
refractive index :1.48500 - 1.49000 @ 20.00 °C.
boiling point : 113.00 - 115.00 °C. @ 760.00 mm Hg
logp : 3.69
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 224.00  °F.  TCC  ( 106.67 °C. )
  
recommendation for 5-ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-one usage levels up to :
  2.0000 % in the fragrance concentrate.
  
safety links : 
(EINECS) number :241-403-3
chemidplus :017369607
epa-srs :17369-60-7
  
other : 
 
references : 
jecfa number :1111
fl. number :07.035
pubchem :663409
  
synonyms :
5-ethyl-2,3,4,5-tetramethyl cyclohexen-1-one
5-ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-one
soluble in :
 alcohol
 water, slightly
insoluble in :
 water
(odor and/or flavor) blends with :
 acetoin
2-acetyl furan
 acetyl isovaleryl
 acetyl propionyl
3-acetyl-2,5-dimethyl furan
2-acetyl-3,4,5,6-tetrahydropyridine
2-acetyl-3,5(or 6)-dimethyl pyrazine
 allyl 2-furoate
isoamyl 3-(2-furan) propionate
para-anisyl methyl ketone
 benzyl disulfide
 benzyl formate
 benzyl methyl tiglate
 butyl lactate
 butyl levulinate
2-oxobutyric acid
gamma-butyrolactone
 cadinadiene
 caramel dione
 caramel furanone
 caramel pentadione
 cinnamyl propionate
 cyclohexyl acetic acid
 dairy lactone
gamma-decalactone
 diacetyl
2,5-diethyl tetrahydrofuran
alpha,alpha-dimethyl anisyl acetone
2,3-dimethyl pyrazine
 ethyl (E)-crotonate
 ethyl 2-hydroxy-2-methyl butyrate
 ethyl 4-pentenoate
 ethyl cinnamate
 ethyl cyclopentenolone
 ethyl maltol
 ethyl palmitate
 ethyl pyruvate
(E)-ethyl tiglate
 ethyl undecylenate
 ethyl vanillin
 ethyl vanillin propylene glycol acetal
 fenugreek absolute
 furfuryl acetone
 furfuryl alcohol
 furfuryl octanoate
 furfuryl valerate
 geranyl crotonate
gamma-heptalactone
2-heptanone
3,4-hexane dione
 hexyl 3-mercaptobutanoate
2-hexylidene cyclopentanone
5-hydroxymethyl furfural
 immortelle absolute
 lavender absolute
 levulinic acid
 maltol
 maltyl propionate
 mango furanone
 maple furanone
 maple lactone
 menthone lactone
 mesitene lactone
3-methyl butyl 2-furyl butyrate
 methyl cyclopentenolone
5-methyl furfural
4-methyl-2,6-dimethoxyphenol
 nonisyl acetate
 nutty cyclohexenone
 octanal diethyl acetal
 peanut oxazole
2-pentanoyl furan
 propyl 2-furan acrylate
 rhodinyl isobutyrate
 rose carboxylate
 rosefuran
 shoyu furanone
 strawberry furanone
 strawberry furanone acetate
 tetrahydrofurfuryl acetate
 tetrahydrofurfuryl alcohol
2-thiophene thiol
(E)-tiglic acid
 toffee furanone
 tolu balsam oil
 tonka bean absolute
 tonka bean resinoid
(E,E)-2,4-undecadien-1-al
2,4-undecadien-1-al
isovaleraldehyde propylene glycol acetal
 vanilla oleoresin
 vanillyl isobutyrate
(odor and/or flavor) used in :
 caramel
 spice
natural occurrence in :
not found in nature



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