1-acetyl cyclohexyl acetate
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Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
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
jecfa number :442
fl. number :09.293
molar refractivity :48.28 ± 0.3 cm3
parachor :427.9 ± 6.0 cm3
index of refraction :1.460 ± 0.03
surface tension :34.7 ± 5.0 dyne/cm
density :1.04 ± 0.1 g/cm3
polarizability :19.14 ± 0.5 10-24cm3
XlogP : 1.50
XlogP3-AA : 1.50
molecular weight : 184.2322400 (IUPAC)
formula :C10 H16 O3
NMR Predictor :Predict
 
 
export tariff code :2915.39.9050
fda reg :unspecified

Suppliers :
Nanjing :1-acetylcyclohexyl acetate

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 - calc. : 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 point : 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 :
Maximised Survey-derived Daily Intakes (MSDI-EU) :ND (μg/capita/day)
 
recommendation for 1-acetyl cyclohexyl acetate 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
fl. number :09.293
jecfa number :442
pubchem :198499

other :
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

soluble in :
 alcohol
 water, slightly

insoluble in :
 water

(odor and/or flavor) blends with :
 acetal 318
 allyl phenoxyacetate
 allyl phenyl acetate
isoamyl 3-(2-furan) propionate
 amyl angelate
isoamyl angelate
alpha-amyl cinnamaldehyde
isoamyl phenyl acetate
para-anisyl formate
para-anisyl phenyl acetate
 artemisyl ketone
 beeswax absolute
 benzaldehyde / methyl anthranilate schiff's base
 benzyl acetate
 benzyl acetoacetate
 benzyl cinnamate
 benzyl formate
 bran absolute
isobutyl anthranilate
isobutyl furyl propionate
 butyl phenyl acetate
2-butyl thiophene
 butyl undecylenate
 cardamom absolute
 carnation absolute
 chamomile flower oil germany
 chamomile isobutyrate
 chamomile propionate
 chamomile valerate
 cinnamyl formate
 cistus cyclohexanone
 citronellyl butyrate
 citronellyl hexanoate
 citronellyl isobutyrate
 citronellyl isovalerate
 citronellyl oxyacetaldehyde
 citronellyl phenyl acetate
 citronellyl propionate
(E)-citronellyl tiglate
 citronellyl valerate
 clary propyl acetate
 cocoa butenal
 cocoa pentenal
para-cresyl phenyl acetate
 cyclohexyl acetic acid
(E)-beta-damascone
(Z)-beta-damascone
beta-damascone
2-decalinyl acetate
 decyl formate
2,4-difurfuryl furan
 dihydrojasmone
 dimethyl benzyl carbinyl acetate
 dimethyl octanyl acetate
2,4-dimethyl-2-pentenoic acid
S-(2,5-dimethyl-3-furyl) ethane thioate
(E+Z)-4,8-dimethyl-3,7-nonadien-2-one
 dodecanol
 elder flowers absolute
 eriocephalus punctulatus oil
 ethyl 2-furoate
 ethyl hydrocinnamate
 ethyl levulinate
4-ethyl octanoic acid
 ethyl phenyl acetate
 eugenyl phenyl acetate
isoeugenyl phenyl acetate
 fig leaf absolute
 genet concrete
 geraniol
 geranyl anthranilate
 geranyl phenyl acetate
 guaiacyl phenyl acetate
2-heptanol
 heptyl isobutyrate
(Z)-3-hexen-1-yl isovalerate
(E)-2-hexen-1-yl phenyl acetate
(E)-3-hexenoic acid
 hexoxyacetaldehyde dimethyl acetal
2-hexyl-4-acetoxytetrahydrofuran
 hyacinth acetal
 immortelle absolute
 kewda absolute
 kewda oil
 linalyl phenyl acetate
 menthadienyl formate
3-mercaptohexyl acetate
 methoxymelonal
 methyl (E)-2-hexenoate
 methyl (Z)-3-hexenoate
 methyl 4-phenyl butyrate
 methyl alpha-ionone
 methyl benzyl acetate (mixed ortho-,meta-,para-)
 methyl butyl phenyl acetate
 methyl cyclogeranate
 methyl decanoate
 methyl hydrocinnamate
alpha-isomethyl ionone (90% min.)
 methyl ionyl acetate
 methyl isobutyrate
 methyl phenyl acetate
(E)-7-methyl-3-octen-2-one
4-methyl-4-phenyl pentanone
(Z,Z)-3,6-nonadien-1-ol
3-nonanon-1-yl acetate
(Z)-6-nonen-1-ol
(Z)-3-octen-1-yl propionate
 octyl isovalerate
 orangeflower absolute
 orris root concrete
 osmanthus absolute
 petitgrain lemon oil
 phenethyl acetate
 phenethyl anthranilate
 phenethyl benzoate
 phenethyl furoate
 phenethyl hexanoate
 phenethyl isobutyrate
 phenethyl isovalerate
 phenethyl phenyl acetate
 phenethyl propionate
 phenyl acetaldehyde
 phenyl acetic acid
 phenyl glycol diacetate
2-phenyl propyl alcohol
1-phenyl propyl butyrate
3-phenyl propyl formate
2-phenyl propyl isobutyrate
 phenyl pyruvic acid
(E)-2-phenyl-1(2)-propene-1-yl acetate
4-phenyl-3-buten-2-ol
2-phenyl-4-pentenal
isopropyl anthranilate
isopropyl benzoate
 propyl phenyl acetate
isopropyl phenyl acetate
 rhodinyl phenyl acetate
 rhubarb pyran
 rose absolute morocco
 rose carboxylate
 rose undecene
 santalyl phenyl acetate
 strawberry glycidate 1
 strawberry glycidate 2
 terpinyl valerate
 tetrahydroionyl acetate
1,2,3,4-tetrahydroquinoline
4-(para-tolyl)-2-butanone
 tropical ionone
 tuberose absolute
 tuberose absolute concrete
 waxy acetate

(odor and/or flavor) used in :
 floral
 fruit
 honey miel

natural occurrence in :
not found in nature



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