1-acetyl cyclohexyl acetate
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IUPAC Name - (1-acetylcyclohexyl) acetate
InChI - InChI=1/C10H16O3/c1-8(11)10(13-9(2)12)6-4-3-5-7-10/h3-7H2,1-2H3
InChIKey - GIFAYASOTQVRTG-UHFFFAOYAS
SMILES - CC(=O)C1(CCCCC1)OC(=O)C
CAS Number : 52789-73-8
(EINECS) Number :258-186-6
FEMA Number :3701
Molar Refractivity :48.28 ± 0.3 cm3 (est)
Parachor :427.9 ± 6.0 cm3 (est)
Index of Refraction :1.460 ± 0.03 (est)
Surface Tension :34.7 ± 5.0 dyne/cm (est)
Density :1.04 ± 0.1 g/cm3 (est)
Polarizability :19.14 ± 0.5 10-24cm3 (est)
XlogP : 1.50 (est)
XlogP3-AA : 1.50 (est)
Molecular Weight : 184.2322400 (IUPAC) (PT) (112)
Formula :C10 H16 O3
NMR Predictor :Predict
 
 
Category :flavoring agents

EU / EUROPA / FDA / JECFA Information :
JECFA Food Flavoring : 442
Fl@vouring Number : 09.293
FDA Mainterm : METHYL 1-ACETOXYCYCLOHEXYL KETONE.

Suppliers :
Nanjing :1-acetylcyclohexyl acetate
orders in chinese.

Organoleptics :
Odor Type :floral
Odor Strength :medium
Odor Description:
at 100.00 %.  
sweet fruity floral honey

Properties :
Appearence :colorless clear liquid
Assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
Specific Gravity :1.04000 to 1.05000 @ 25.00 °C.
Pounds per Gallon - est. : 8.654 to 8.737
Refractive Index :1.46000 to 1.47000 @ 20.00 °C.
Boiling Point : 67.00 °C. @ 3.00 mm Hg
Flash Ppoint : 217.00  °F.  TCC  ( 102.78 °C. )
logP (o/w) : 1.48

Safety :
Oral Toxicity(LD50) : 
  Gavage-Rat   [sex: M,F]  2150.00  mg/kg
(Piccirillo & Hartman, 1980b)

Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 

Safety in Use :
Category :flavoring agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :ND (μg/capita/day)
 
Recommendation for 1-acetyl cyclohexyl acetate fragrance usage levels up to :
 not for fragrance use.

Safety References :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
Canada Domestic Sub. List :Yes
 
 
 
 
(1-acetylcyclohexyl) acetate
(EINECS) Number :258-186-6
Chemidplus :052789738
EPA Substance Registry Services :52789-73-8

References :
 
(1-acetylcyclohexyl) acetate
Pubchem :198499

Other :
Export Tariff Code :2915.39.9050
FDA Everything Added to Food in the United States (EAFUS)View
Synonyms :
1-acetoxy-1-acetyl cyclohexane
1-acetoxycyclohexyl acetate
1-acetoxycyclohexyl methyl ketone
(1-acetyl cyclohexyl) acetate
1-(1-(acetyl oxy)cyclohexyl) ethanone
(1-acetylcyclohexyl) acetate
1-hydroxycyclohexyl methyl ketone acetate
 methyl 1-acetoxycyclohexyl ketone

Similar Products:    note
 hydroxycyclohexyl methyl ketone

Soluble in :
 alcohol
 water, slightly

Insoluble in :
 water

Potential Blenders :    note
 acetal 318FR
 allyl phenoxyacetateFL/FR
 allyl phenyl acetateFL/FR
isoamyl 3-(2-furan) propionateFL/FR
 amyl angelateFL
isoamyl angelateFL/FR
alpha-amyl cinnamaldehydeFL/FR
isoamyl phenyl acetateFL/FR
para-anisyl formateFL/FR
para-anisyl phenyl acetateFL/FR
 artemisyl ketoneFL/FR
 beeswax absoluteFL/FR
 benzaldehyde / methyl anthranilate schiff's baseFR
 benzyl acetateFL/FR
 benzyl acetoacetateFL/FR
 benzyl cinnamateFL/FR
 benzyl formateFL/FR
 bran absoluteFR
isobutyl anthranilateFL/FR
isobutyl furyl propionateFL/FR
 butyl phenyl acetateFL/FR
2-butyl thiopheneFL
 butyl undecylenateFL/FR
 cardamom absoluteFL/FR
 carnation absoluteFR
 chamomile flower oil germanyFL/FR
 chamomile isobutyrateFR
 chamomile propionateFR
 chamomile valerateFR
 cinnamyl formateFL/FR
 cistus cyclohexanoneFL/FR
 citronellyl butyrateFL/FR
 citronellyl hexanoateFL/FR
 citronellyl isobutyrateFL/FR
 citronellyl isovalerateFL/FR
 citronellyl oxyacetaldehydeFL/FR
 citronellyl phenyl acetateFL/FR
 citronellyl propionateFL/FR
(E)-citronellyl tiglateFL/FR
 citronellyl valerateFL/FR
 clary propyl acetateFR
 cocoa butenalFL/FR
 cocoa pentenalFL/FR
para-cresyl phenyl acetateFL/FR
 cyclohexyl acetic acidFL
(E)-beta-damasconeFL/FR
(Z)-beta-damasconeFL/FR
beta-damasconeFL/FR
2-decalinyl acetateFR
 decyl formateFR
2,4-difurfuryl furanFL
 dihydrojasmoneFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
 dimethyl octanyl acetateFL/FR
2,4-dimethyl-2-pentenoic acidFL
S-(2,5-dimethyl-3-furyl) ethane thioateFL
(E+Z)-4,8-dimethyl-3,7-nonadien-2-oneFL
 dodecanolFL/FR
 elder flower absoluteFR
 eriocephalus punctulatus oil 
 ethyl 2-furoateFL
 ethyl hydrocinnamateFL/FR
 ethyl levulinateFL/FR
4-ethyl octanoic acidFL/FR
 ethyl phenyl acetateFL/FR
 eugenyl phenyl acetateFL/FR
isoeugenyl phenyl acetateFL/FR
 fig leaf absoluteFL
 genet concreteFR
 geraniolFL/FR
 geranyl anthranilateFR
 geranyl phenyl acetateFL/FR
 guaiacyl phenyl acetateFL/FR
2-heptanolFL/FR
 heptyl isobutyrateFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
(E)-2-hexen-1-yl phenyl acetateFL/FR
(E)-3-hexenoic acidFL
 hexoxyacetaldehyde dimethyl acetalFR
2-hexyl-4-acetoxytetrahydrofuranFL
 hyacinth acetalFL/FR
 immortelle absoluteFL/FR
 kewda absolute 
 kewda oil 
 linalyl phenyl acetateFL/FR
 menthadienyl formateFR
3-mercaptohexyl acetateFL
 methoxymelonalFR
 methyl (E)-2-hexenoateFL
 methyl (Z)-3-hexenoateFL/FR
 methyl 4-phenyl butyrateFL
 methyl benzyl acetate (mixed ortho-,meta-,para-)FL/FR
 methyl butyl phenyl acetateFL/FR
 methyl cyclogeranateFR
 methyl decanoateFL/FR
 methyl hydrocinnamateFL/FR
alpha-methyl iononeFL/FR
alpha-isomethyl ionone (90% min.)FL/FR
 methyl ionyl acetateFL/FR
 methyl isobutyrateFL/FR
 methyl phenyl acetateFL/FR
(E)-7-methyl-3-octen-2-oneFL
4-methyl-4-phenyl pentanoneFR
(Z,Z)-3,6-nonadien-1-olFL/FR
3-nonanon-1-yl acetateFL/FR
(Z)-6-nonen-1-olFL/FR
(Z)-3-octen-1-yl propionateFL/FR
 octyl isovalerateFL/FR
 orangeflower absolute moroccoFL/FR
 orris root concreteFL/FR
 osmanthus absoluteFL/FR
 petitgrain lemon oilFL/FR
 phenethyl acetateFL/FR
 phenethyl anthranilateFL/FR
 phenethyl benzoateFL/FR
 phenethyl furoateFL/FR
 phenethyl hexanoateFL/FR
 phenethyl isobutyrateFL/FR
 phenethyl isovalerateFL/FR
 phenethyl phenyl acetateFL/FR
 phenethyl propionateFL/FR
 phenyl acetaldehydeFL/FR
 phenyl acetic acidFL/FR
 phenyl glycol diacetateFR
2-phenyl propyl alcoholFL/FR
1-phenyl propyl butyrateFL/FR
3-phenyl propyl formateFL/FR
2-phenyl propyl isobutyrateFL/FR
 phenyl pyruvic acidFL/FR
(E)-2-phenyl-1(2)-propene-1-yl acetateFR
4-phenyl-3-buten-2-olFL/FR
2-phenyl-4-pentenalFL
isopropyl anthranilateFL/FR
isopropyl benzoateFL/FR
 propyl phenyl acetateFL/FR
isopropyl phenyl acetateFL/FR
 rhodinyl phenyl acetateFL/FR
 rhubarb pyranFR
 rose absolute moroccoFL/FR
 rose carboxylateFR
 rose undeceneFR
 santalyl phenyl acetateFL/FR
 strawberry glycidate 1 (aldehyde C-16)FL/FR
 strawberry glycidate 2FL/FR
 terpinyl valerateFL/FR
 tetrahydroionyl acetateFR
1,2,3,4-tetrahydroquinolineFR
4-(para-tolyl)-2-butanoneFL/FR
 tropical iononeFL/FR
 tuberose absolute concreteFL/FR
 tuberose absolute pommadeFL/FR
 waxy acetateFR

Potential Uses :
 almondFL
 almond bitterFL/FR
 appleFL
 apple crabapple 
 apple greenFL
 apple redFL
 apricotFL
 apricot brandyFL
 arrack 
 bananaFL
 banana quana banana 
 beeswax cire d'abeilleFL/FR
 berry jam 
 berry mixedFL
 blackberryFL
 blueberryFL
 blueberry whortleberry red whortleberry 
 boronia 
 boxwoodberry 
 boysenberryFL
 bramble arctic bramble blackberry 
 briar sweet briar eglantine 
 bubble gumFL
 cassie acacia farnesiana 
 cherryFL
 cherry blackFL
 cherry maraschinoFL
 cherry wildFL
 cider 
 cloudberry bakeapple 
 currant 
 currant blackFL
 currant redFL
 dateFL
 davanaFL/FR
 durianFL
 elder berryFL
 elder blossom 
 figFL
 floral 
 fruit 
 fruit dried fruit 
 fruit jam 
 fruit juicy fruit 
 fruit punch 
 fruit tropical fruit 
 gooseberryFL
 grapeFL
 grape concordFL
 grape white grape 
 guavaFL
 hibiscus 
 honey mielFL
 honeysuckle chevrefeuille 
 huckleberry bilberryFL
 immortelle helichrysum everlastingFL/FR
 iris blossom 
 jackfruitFL
 jam 
 kewda 
 kiwiFL
 loganberry dewberryFL
 lycheeFL
 mangoFL
 marigold tageteFL/FR
 melonFL
 melon honeydewFL
 melon watermelonFL
 melon watermelon muskmelon cantaloupe 
 mulberryFL
 myrtleFL/FR
 orange bitterFL/FR
 osmanthusFL/FR
 papayaFL
 passion blossom 
 passion fruit 
 peachFL
 pearFL
 pear bartlett pear 
 pear emperor pear 
 pineappleFL
 plumFL
 plum greengage plum 
 plum jam 
 plum mirabelle plum 
 pomegranateFL
 pruneFL
 quinceFL
 raisinFL
 raspberryFL
 raspberry blackFL
 raspberry green raspberry 
 raspberry jam 
 raspberry redFL
 ripe 
 rose wild rose 
 rueFL/FR
 stephanotisFR
 strawberryFL
 strawberry jam 
 tangerineFR
 tutti fruttiFL
 wallflower giroflee 

Natural Occurrence in :    note
 not found in nature  



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