cyclohexyl crotonate
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IUPAC name :cyclohexyl (E)-but-2-enoate
InChI :InChI=1/C10H16O2/c1-2-6-10(11)12-9-7-4-3-5-8-9/h2,6,9H,3-5,7-8H2,1H3/b6-2+
InChIKey :ZUMGBVSYIVKLDH-QHHAFSJGBN
SMILES :C\C=C\C(=O)OC1CCCCC1
cas number :31416-78-1
molar refractivity :48.04 ± 0.4 cm3
parachor :412.0 ± 6.0 cm3
index of refraction :1.468 ± 0.03
surface tension :32.4 ± 5.0 dyne/cm
density :0.97 ± 0.1 g/cm3
polarizability :19.04 ± 0.5 10-24cm3
XlogP : 2.90
molecular weight : 168.2328400 (IUPAC)
formula :C10 H16 O2
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
organoleptics :
odor type :amber
odor strength :medium
odor description:
at 100.00 %.  		amber floral balsam cistus
properties :
appearence :colorless clear liquid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 221.00 to 223.00 °C. @ 760.00 mm Hg
flash point : 182.00  °F.  TCC  ( 83.33 °C. )
logP (o/w) : 3.38
safety :
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :information only not used for fragrances or flavors
 
recommendation for cyclohexyl crotonate fragrance usage levels up to :
 not for fragrance use.
recommendation for cyclohexyl crotonate flavor usage levels up to :
 not for flavor use.
safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
 
 
 
cyclohexyl (E)-but-2-enoate
chemidplus :031416781
EPA Substance Registry Services :31416-78-1
references :
 
cyclohexyl (E)-but-2-enoate
pubchem :746825
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
synonyms :
 crotonate de cyclo-hexyle
 cyclohexyl (E)-2-butenoate
 cyclohexyl (E)-but-2-enoate
Similar Products:    note
 allyl crotonate
isoamyl crotonate
 apple crotonate
 benzyl crotonate
 butyl (E)-2-crotonate
 citronellyl crotonate
 dimethyl benzyl carbinyl crotonate
 ethyl (E)-2-crotonate
 ethyl crotonate
 fig crotonate
 geranyl crotonate
 heptyl crotonate
(Z)-3-hexen-1-yl (E)-crotonate
(E)-3-hexen-1-yl crotonate
 hexyl (E)-crotonate
 octyl crotonate
 phenethyl crotonate
3-phenyl propyl crotonate
 plum crotonate
isopropyl (E)-crotonate
 propyl crotonate
isopropyl 3-methyl thiocrotonate
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
 acetoxymethyl isolongifoleneFR
 acetyl cedreneFR
 amber acetateFR
 amber butanolFR
 amber caraneFR
 amber carbinolFR
 amber cyclohexanolFR
 amber decaneFR
 amber decatrieneFR
 amber dioxaneFR
 amber dodecaneFR
 amber formateFR
 amber furanFR
 amber naphthofuranFL/FR
 amber oxepinFR
 amber pentadecaneFR
 amber spiroleneFR
 ambergris naphtholFL/FR
 ambrette seed oilFL/FR
delta6-isoambrettolideFL/FR
 ambroxanFL/FR
 amyl benzoateFL/FR
 amyl cinnamateFL/FR
isoamyl cinnamateFL/FR
 amyl isoeugenolFR
 amyris acetateFR
 angelica root oilFL/FR
 angelica seed oilFL/FR
 animal carbolactoneFR
 balsam ketoneFR
 benzyl cinnamateFL/FR
 benzyl propionateFL/FR
 boronia butenalFR
 butyl benzoateFL/FR
isobutyl cinnamateFL/FR
isobutyl phenyl acetateFL/FR
alpha-campholenic aldehydeFL/FR
 cananga oilFL/FR
 cedar cyclododecatrieneFR
 cedarwood oil atlasFR
alpha-cedrene epoxideFR
 cedrol methyl etherFR
 cedryl formateFR
 cedryl methyl etherFR
 chamomile oil moroccoFR
 cinnamyl cinnamateFL/FR
 cistus absoluteFL/FR
 cistus cyclohexanoneFL/FR
 citronellyl acetoneFL/FR
 cyclohexyl crotonateCS
 cyclohexyl salicylateFR
 dihydro-beta-ionolFL/FR
 dihydro-beta-iononeFL/FR
 dihydrogeranyl linaloolFR
 elecampane root oilFL
 floral undecenoneFR
 formoxymethyl isolongifoleneFR
 geranyl benzoateFL/FR
(Z)-3-hexen-1-yl benzoateFL/FR
 hydroxymethyl isolongifolene 50% in dpgFR
beta-ionolFL/FR
pseudoiononeFL
 labdanum absolute resinFL/FR
 labdanum absolute resinoidFL/FR
 labdanum ethanoneFR
 labdanum oilFL/FR
 labdanum resinoidFR
 linalyl cinnamateFL/FR
isolongifolene ketoneFR
 mastic resinFR
 mcp acetate 
2-methoxy-4-vinyl phenolFL/FR
 methyl cedryl ketoneFL/FR
alpha-methyl cinnamic alcoholFR
 methyl hydrocinnamateFL/FR
 methyl hydrogenated rosinateCS
2-methyl undecanalFL/FR
2-methyl undecanal dimethyl acetalFR
 musk amberolFR
 musk dimethyl indaneFL/FR
 musk lactoneFR
 musk methyl ketoneFR
 myrrh oilFL/FR
 opoponax absoluteFL/FR
 opoponax resinoidFR
 patchouli ethanoneFR
 phenethyl salicylateFL/FR
3-phenyl propyl propionateFL/FR
1-phenyl-1-propanolFL/FR
4-phenyl-3-buten-2-olFL/FR
(Z,E)-phytolFL/FR
 propyl cinnamateFL/FR
isopropyl cinnamateFL/FR
 sandal cyclopropaneFR
 satinaldehydeFL/FR
 styrax oilFL/FR
 styrax resinoidFL
 tetradecanalFL/FR
 timber propanolFR
 tobacco dodecaneFR
 vetiver oilFL/FR
 woody cyclohexanoneFR
 woody dioxolaneFR
 woody dodecaneFR
 woody epoxideFR
 woody etherFR
 woody nonaneFR
 woody propanolFR
potential uses :
 amber
 balsam
 cistus
 floral
 heather
 labdanum
 oriental
 woody
natural occurrence in :    note
 not found in nature  

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