ethyl cyclohexyl carboxylate
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :ethyl cyclohexanecarboxylate
InChI :InChI=1/C9H16O2/c1-2-11-9(10)8-6-4-3-5-7-8/h8H,2-7H2,1H3
InChIKey :JJOYCHKVKWDMEA-UHFFFAOYAS
SMILES :CCOC(=O)C1CCCCC1
(EINECS) number :221-945-7
cas number :3289-28-9
beilstein number :2042698
fema number :3544
coe number :11916
jecfa number :963
fl. number :09.534
molar refractivity :43.25 ± 0.3 cm3
parachor :384.3 ± 6.0 cm3
index of refraction :1.451 ± 0.02
surface tension :32.8 ± 3.0 dyne/cm
density :0.972 ± 0.06 g/cm3
polarizability :17.14 ± 0.5 10-24cm3
xlogp : 2.60
molecular weight : 156.2221400
formula :C9 H16 O2
BioActivity Analysis :71434
 
 
fda reg :unspecified h. number :unspecified
organoleptics : 
odor type :cheesy
odor strength :medium
odor description :
at 100.00 %.  
fruity cheese
properties : 
appearence :colorless clear liquid
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.96600 - 0.97800 @ 20.00 °C.
pounds per gallon - calc. : 8.047 to 8.147
refractive index :1.44700 - 1.45400 @ 20.00 °C.
boiling point : 82.00 °C. @ 12.00 mm Hg
boiling point : 196.00 - 197.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
logp : 2.77
safety : 
Oral Toxicity(LD50) : Oral-Rat    3962.00  mg/kg    
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 155.00  °F.  TCC  ( 68.33 °C. )
  
recommendation for ethyl cyclohexyl carboxylate usage levels up to :
  0.5000 % in the fragrance concentrate.
  
safety links : 
(EINECS) number :221-945-7
chemidplus :003289289
epa-srs :3289-28-9
dtp/nci :5298
  
other : 
 
references : 
jecfa number :963
fl. number :09.534
pubchem :161679
NIST Chemistry WebBook :3242756514
  
synonyms :
 cyclohexane carboxylic acid ethyl ester
 ethoxycarbonyl cyclohexane
 ethyl cyclohexane carboxylate
 ethyl cyclohexyl carboxylate
 ethyl cyclohexyl formate
 ethyl hexahydrobenzoate
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
 acetoin butyrate
 acetyl propionyl
 allyl amyl glycolate
 allyl butyrate
isoamyl benzoate
isoamyl butyrate
isoamyl isovalerate
isoamyl octanoate
 boronia absolute
 butyl butyryl lactate
 butyl isobutyrate
isobutyl propionate
 butyric acid
isobutyric acid
 cherry pentenoate
beta-cyclocitral
 cyclohexyl acetic acid
 cyclohexyl carboxylic acid
2-cyclopentyl cyclopentanone
alpha-decalactone
 diethyl malonate
 dimethyl succinate
2,4-dimethyl-2-pentenoic acid
(E,E)-2,4-dodecadien-1-ol
 ethyl (E)-2-octenoate
 ethyl 2-cyclohexyl propionate
 ethyl 2-octenoate
 ethyl 3-acetoxyhexanoate
 ethyl 3,5,5-trimethyl hexanoate
 ethyl acetoacetate
 filbert hexenone
 furfuryl propionate
(E,E)-2,4-heptadien-1-ol
 heptanal cyclic ethylene acetal
2,3-heptane dione
2-heptanol
4-heptanone
 hexanoic acid
2-hexen-1-al
(E)-2-hexen-1-al diethyl acetal
2-hexen-1-al diethyl acetal
2-hexen-1-ol
(E)-3-hexen-1-yl acetate
(E)-2-hexen-1-yl formate
(E)-2-hexen-1-yl hexanoate
(Z)-3-hexen-1-yl hexanoate
(Z)-3-hexen-1-yl isobutyrate
 hexyl (E)-2-hexenoate
 hexyl 2-butenoate
 hexyl acetate
 hexyl octanoate
 melon valerate
 methyl (E)-2-hexenoate
 methyl (E)-3-nonenoate
 methyl (E)-3-nonenoate
 methyl 2-undecynoate
2-methyl 3-(methyl thio) furan 10% in triacetin
 methyl 4-(methyl thio) butyrate
 methyl 4-methyl valerate
2-methyl butyl isovalerate
2-methyl butyric acid
 methyl heptanoate
2-methyl heptanoic acid
2-methyl hexanoic acid
5-methyl hexanoic acid
4-methyl pentanoic acid
 methyl R-3-acetoxyhexanoate
S-(methyl thio) butyrate
 methyl thiol isovalerate
2-methyl valeraldehyde
2-methyl valeric acid
2-methyl-2-hexenoic acid
(E)-2-methyl-2-octen-1-al
2-methyl-2-octen-1-al
3-methyl-3-pentanol
2-methyl-4-pentenoic acid
 nerolidyl isobutyrate
 nonanoic acid
2-nonanol
 nutty quinoxaline
(E,E)-3,5-octadien-2-one
 octen-1-yl cyclopentanone
(E)-2-octenoic acid
 octyl 2-methyl butyrate
(E)-2-pentenoic acid
4-pentenoic acid
2-pentyl furan
 phenoxyethyl isobutyrate
 pineapple pentenoate
 prenol
 prenyl hexanoate
isopropyl 2-methyl butyrate
 propylene acetal
 rhubarb undecane
 sorbyl butyrate
 tetrahydrofurfuryl butyrate
 timber dioxolane
 tropical indene
 tropical thiazole
 undecanoic acid
 violet dienyne
(odor and/or flavor) used in :
 cheese
 fruit
 tropical
natural occurrence in :
coffee



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