beta-cyclocitral
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :2,6,6-trimethylcyclohexene-1-carbaldehyde
InChI :InChI=1/C10H16O/c1-8-5-4-6-10(2,3)9(8)7-11/h7H,4-6H2,1-3H3
InChIKey :MOQGCGNUWBPGTQ-UHFFFAOYAR
SMILES :CC1=C(C(CCC1)(C)C)C=O
(EINECS) number :207-081-3
cas number :432-25-7
fema number :3639
coe number :11849
jecfa number :979
fl. number :05.121
molar refractivity :47.90 ± 0.3 cm3
parachor :386.2 ± 6.0 cm3
index of refraction :1.507 ± 0.02
surface tension :33.3 ± 3.0 dyne/cm
density :0.947 ± 0.06 g/cm3
polarizability :18.99 ± 0.5 10-24cm3
xlogp : 2.50
molecular weight : 152.2334400
formula :C10 H16 O
 
 
export tariff code :unspecified
fda reg :unspecified
 

Suppliers :
Sigma-Aldrich-SAFC :beta-Cyclocitral
 ≥90%, Kosher, FG
 
 

organoleptics :
odor type :minty
odor strength :medium
odor description :
at 100.00 %.  
minty fruity green grassy floral hay

properties :
appearence :colorless to pale yellow clear liquid
assay : 90.00 - 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.95000 - 0.95700 @ 25.00 °C.
pounds per gallon - calc. : 7.905 to 7.963
refractive index :1.47600 - 1.48300 @ 20.00 °C.
boiling point : 62.00 - 63.00 °C. @ 3.00 mm Hg
boiling point : 211.00 - 212.00 °C. @ 760.00 mm Hg
logp : 3.26

safety :
most important hazard(s) : Xn - Harmful.
  
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 170.00  °F.  TCC  ( 76.67 °C. )
  
recommendation for beta-cyclocitral usage levels up to :
  2.0000 % in the fragrance concentrate.
  

safety links :
(EINECS) number :207-081-3
chemidplus :000432257
epa-srs :432-25-7
  

other :
 

references :
jecfa number :979
fl. number :05.121
pubchem :153116
NIST Chemistry WebBook :875162112
  
synonyms :
beta-cyclocitral
2,6,6-trimethyl cyclohexene-1-carbaldehyde
2,6,6-trimethyl-1-cyclohexen-1-carboxaldehyde
2,6,6-trimethyl-1(2)-cyclohexen-1-carboxaldehyde
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
6-acetoxydihydrotheaspirane
 allyl amyl glycolate
 allyl butyrate
 allyl cyclohexyl valerate
 allyl propionate
isoamyl benzoate
isoamyl butyrate
 amyl isobutyrate
isoamyl isobutyrate
isoamyl isovalerate
isoamyl nonanoate
isoamyl octanoate
 amyl propionate
 apricot isobutyrate
 arnica flower oil
 benzyl butyrate
 benzyl heptanoate
 benzyl hexanoate
 boronia absolute
2-butanol
isobutyl decanoate
 butyl decylenate
 butyl isobutyrate
 butyl nonanoate
isobutyl propionate
 cadinadiene
 champaca absolute
 champaca flower oil
 cherry pentenoate
 citronellyl formate
 clary sage absolute
 clary sage oil
(-)-cubenol
 curcuma amada roxb. rhizome oil india
2-cyclopentyl cyclopentanone
alpha-decalactone
 decen-1-yl cyclopentanone
 diethyl malonate
 dihydroactinidolide
 dimethyl benzyl carbinyl propionate
alpha,alpha-dimethyl benzyl isobutyrate
 dimethyl succinate
2,4-dimethyl thiazole
(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
 ethyl octanoate
 fruity cyclopentanone
 furfuryl propionate
2-furyl pentyl ketone
 genet absolute
 geranyl formate
 geranyl isobutyrate
 gooseberry notes
 heptanal cyclic ethylene acetal
2-heptanol
 heptyl acetate
 heptyl butyrate
 heptyl isobutyrate
 heptyl propionate
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
 jasmin lactone
 linalyl isovalerate
 linalyl valerate
 melon valerate
 methyl (E)-2-hexenoate
 methyl (E)-3-nonenoate
 methyl (E)-3-nonenoate
 methyl 2-undecynoate
 methyl heptanoate
alpha-isomethyl ionone (90% min.)
 methyl R-3-acetoxyhexanoate
2-methyl valeraldehyde
(E)-2-methyl-2-octen-1-al
2-methyl-2-octen-1-al
3-methyl-3-pentanol
 nerolidyl isobutyrate
(E,E)-3,5-octadien-2-one
 octen-1-yl cyclopentanone
 octyl 2-methyl butyrate
 peach cyclopentanone
2-pentyl furan
 phenethyl heptanoate
 phenethyl isobutyrate
2-phenethyl isothiocyanate
 phenethyl isovalerate
 phenoxyethyl isobutyrate
1-phenyl propyl butyrate
2-phenyl propyl butyrate
3-phenyl propyl cinnamate
2-phenyl propyl isobutyrate
ketoisophorone
 pineapple pentenoate
 prenol
 prenyl hexanoate
isopropyl 2-methyl butyrate
 propyl butyrate
 propyl phenyl acetate
 propylene acetal
 rhubarb undecane
 tea acetate
 tetrahydrofurfuryl butyrate
 tetrahydrolinalool
 timber dioxolane
 tropical indene
 tropical thiazole
gamma-undecalactone
 verbena absolute france
 violet dienyne
natural occurrence in :
apricot
data pagecassie absolute @ 0.37%
data pagechampaca concrete @ trace%
gooseberry
data pageherniaria incana lam. oil greece @ 0.40%
mango
tea
vanilla



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