1-acetyl cyclohexyl acetate
methyl 1-acetoxycyclohexyl ketone
 
Notes:
Flavourant for food and tobacco
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CAS Number: 52789-73-8Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 258-186-6
FDA UNII: 987IZ840TA
Nikkaji Web: J295.802C
XlogP3-AA: 1.50 (est)
Molecular Weight: 184.23512000
Formula: C10 H16 O3
NMR Predictor: Predict (works with chrome or firefox)
Category: flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
Google Books: Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist: Search
Google Patents: Search
US Patents: Search
EU Patents: Search
Pubchem Patents: Search
JECFA Food Flavoring: 442  methyl 1-acetoxycyclohexyl ketone
FLAVIS Number: 09.293 (Old)
FEMA Number: 3701  methyl 1-acetoxycyclohexyl ketone
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):52789-73-8 ; METHYL 1-ACETOXYCYCLOHEXYL KETONE
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Physical Properties:
Appearance: colorless clear liquid (est)
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
Vapor Pressure: 0.022000 mmHg @ 25.00 °C. (est)
Flash Point: 217.00 °F. TCC ( 102.78 °C. )
logP (o/w): 1.741 (est)
Soluble in:
 alcohol
 water, slightly
 water, 955 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items: note
hydroxycyclohexyl methyl ketone
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Organoleptic Properties:
 
Odor Type: floral
 
Odor Strength: medium
 
 sweet  fruity  floral  honey  fig  rose  nutty  
Odor Description:
at 100.00 %. 
sweet fruity floral honey fig rose nutty
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
Axsyn
For experimental / research use only.
Ethanone,1-[1-(acetyloxy)cyclohexyl]-
BOC Sciences
For experimental / research use only.
1-acetylcyclohexyl acetate
Parchem
1-acetyl cyclohexyl acetate
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Safety Information:
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
gavage-rat LD50  [sex: M,F] 2150 mg/kg
(Piccirillo & Hartman, 1980b)

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: flavoring agents
Recommendation for 1-acetyl cyclohexyl acetate usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): ND (μg/capita/day)
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 13
Click here to view publication 13
 average usual ppmaverage maximum ppm
baked goods: -0.20000
beverages(nonalcoholic): -0.20000
beverages(alcoholic): -0.20000
breakfast cereal: -0.50000
cheese: --
chewing gum: -0.50000
condiments / relishes: --
confectionery froastings: -0.20000
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: -0.10000
gelatins / puddings: -0.20000
granulated sugar: --
gravies: --
hard candy: -0.50000
imitation dairy: --
instant coffee / tea: --
jams / jellies: -0.10000
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: -0.10000
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: -0.50000
soups: --
sugar substitutes: --
sweet sauces: --
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Safety References:
Flavor & Extract Manufacturers Association (FEMA) reference(s):
The FEMA GRAS assessment of alicyclic substances used as flavor ingredients. View pdf
European Food Safety Athority(efsa): Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
European Food Safety Authority (EFSA) reference(s):
Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 18 (FGE.18): Aliphatic, alicyclic and aromatic saturated and unsaturated tertiary alcohols, aromatic tertiary alcohols and their esters from chemical group 6
View page or View pdf
Flavouring Group Evaluation 18, Revision 1 (FGE. 18 Rev1)[1] : Aliphatic, alicyclic and aromatic saturated and unsaturated tertiary alcohols, aromatic tertiary alcohols and their esters from chemical groups 6 and 8
View page or View pdf
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 62017
National Institute of Allergy and Infectious Diseases: Data
 (1-acetylcyclohexyl) acetate
Chemidplus: 0052789738
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References:
 (1-acetylcyclohexyl) acetate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 52789-73-8
Pubchem (cid): 62017
Pubchem (sid): 135020259
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Other Information:
(IUPAC): Atomic Weights of the Elements 2009
(IUPAC): Atomic Weights of the Elements 2009 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
FDA Substances Added to Food (formerly EAFUS): View
HMDB (The Human Metabolome Database): HMDB39710
FooDB: FDB019345
Export Tariff Code: 2915.39.9050
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
No odor group found for these
(E+Z)-4,8-dimethyl-3,7-nonadien-2-oneFL/FR
acidic
 cyclohexyl acetic acidFL/FR
aldehydic
 citronellyl oxyacetaldehydeFL/FR
animal
para-cresyl phenyl acetateFL/FR
1,2,3,4-tetrahydroquinolineFR
anisic
para-anisyl phenyl acetateFL/FR
balsamic
 benzyl cinnamateFL/FR
 cinnamyl formateFL/FR
 guaiacyl phenyl acetateFL/FR
3-phenyl propyl alcoholFL/FR
2-phenyl propyl alcoholFL/FR
caramellic
 immortelle absoluteFL/FR
chocolate
isoamyl phenyl acetateFL/FR
isobutyl phenyl acetateFL/FR
 cocoa pentenalFL/FR
 tetrahydrofurfuryl phenyl acetateFL/FR
citrus
2-heptanolFL/FR
fatty
 butyl undecylenateFL/FR
4-ethyl octanoic acidFL/FR
 methyl (E)-2-hexenoateFL/FR
fermented
 methyl decanoateFL/FR
isoamyl angelateFL/FR
alpha-amyl cinnamaldehydeFL/FR
 benzyl acetateFL/FR
 benzyl acetoacetateFL/FR
 benzyl formateFL/FR
 benzyl isobutyrateFL/FR
 cardamom absoluteFL/FR
(S)-citronellyl acetateFL/FR
 citronellyl butyrateFL/FR
 citronellyl hexanoateFL/FR
 citronellyl isovalerateFL/FR
 citronellyl phenyl acetateFL/FR
 citronellyl propionateFL/FR
(E)-citronellyl tiglateFL/FR
 citronellyl valerateFL/FR
 dihydrojasmoneFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
 ethyl anthranilateFL/FR
 ethyl ethyl anthranilateFL/FR
 ethyl hydrocinnamateFL/FR
 ethyl phenyl acetateFL/FR
 genet concreteFR
 geraniolFL/FR
 geranyl anthranilateFR
 geranyl isobutyrateFL/FR
 geranyl phenyl acetateFL/FR
 hyacinth acetalsFL/FR
 ionone mixed isomersFL/FR
isojasmoneFL/FR
 kewda absolute 
 kewda oilCS
 linalyl butyrateFL/FR
 linalyl phenyl acetateFL/FR
 magnolia flower oil CO2 extractFL/FR
 methoxymelonalFL/FR
para-methyl benzyl acetateFL/FR
 methyl benzyl acetate (mixed ortho-,meta-,para-)FL/FR
alpha-isomethyl ionone (90% min.)FL/FR
 methyl ionyl acetateFL/FR
(±)-3-methyl-gamma-decalactoneFL/FR
3-nonanon-1-yl acetateFL/FR
 octyl isovalerateFL/FR
bitter orangeflower absolute moroccoFL/FR
 orris rhizome concrete butter (iris pallida)FL/FR
 osmanthus concreteFL/FR
 petitgrain lemon oilFL/FR
 petitgrain mandarin oilFL/FR
 phenethyl acetateFL/FR
 phenethyl anthranilateFL/FR
 phenethyl benzoateFL/FR
 phenethyl hexanoateFL/FR
 phenethyl isobutyrateFL/FR
 phenethyl isovalerateFL/FR
 phenethyl phenyl acetateFL/FR
 phenethyl propionateFL/FR
1-phenyl propyl butyrateFL/FR
3-phenyl propyl formateFL/FR
2-phenyl propyl isobutyrateFL/FR
(E)-2-phenyl-1(2)-propene-1-yl acetateFR
4-phenyl-3-buten-2-olFL/FR
isopropyl anthranilateFL/FR
isopropyl benzoateFL/FR
isopropyl phenyl acetateFL/FR
 rhodinyl butyrateFL/FR
 rhodinyl phenyl acetateFL/FR
 rose absolute (rosa centifolia) moroccoFL/FR
 star fruit oil cubaFL/FR
 styralyl propionateFL/FR
 terpinyl valerateFL/FR
 tuberose absolute (from concrete)FL/FR
 tuberose absolute (from pommade)FL/FR
fruity
 allyl phenoxyacetateFL/FR
 apricot essenceFL/FR
 benzyl propionateFL/FR
 benzyl valerateFL/FR
 butyl 2-naphthyl etherFL/FR
isobutyl anthranilateFL/FR
isobutyl furyl propionateFL/FR
 citronellyl isobutyrateFL/FR
beta-damasconeFL/FR
(E)-beta-damasconeFL/FR
(Z)-beta-damasconeFL/FR
(R)-gamma-dodecalactoneFL/FR
 eriocephalus punctulatus flower oilFR
 ethyl levulinateFL/FR
 heptyl isobutyrateFL/FR
 linalool oxide acetatesFL/FR
3-mercaptohexyl acetateFL/FR
 methyl (Z)-3-hexenoateFL/FR
 methyl isobutyrateFL/FR
(E)-7-methyl-3-octen-2-oneFL/FR
2-nonanone propylene glycol acetalFL/FR
alpha-ocimeneFL/FR
(Z)-3-octen-1-yl propionateFL/FR
 osmanthus flower absoluteFL/FR
 sambucus canadensis fruit absoluteFL/FR
 strawberry glycidate 1 (aldehyde C-16 (so-called))FL/FR
 strawberry glycidate 2FL/FR
(R)-styralyl acetateFL/FR
4-(para-tolyl)-2-butanoneFL/FR
 tropical iononeFL/FR
green
isoamyl 3-(2-furan) propionateFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
(E)-2-hexen-1-yl phenyl acetateFL/FR
4-methyl-4-phenyl pentanoneFR
(Z,Z)-3,6-nonadien-1-olFL/FR
 phenoxyethyl isobutyrateFL/FR
 phenyl acetaldehydeFL/FR
hay
 beeswax absoluteFL/FR
herbal
 artemisyl ketoneFL/FR
 matricaria chamomilla flower oilFL/FR
 tagete oil madagascarFL/FR
honey
 allyl phenyl acetateFL/FR
 butyl phenyl acetateFL/FR
 methyl hydrocinnamateFL/FR
 methyl phenyl acetateFL/FR
 phenethyl furoateFL/FR
 phenyl acetic acidFL/FR
 phenyl pyruvic acidFL/FR
 propyl phenyl acetateFL/FR
medicinal
ortho-cresyl acetateFL/FR
melon
(Z)-6-nonen-1-olFL/FR
musty
 cocoa butenalFL/FR
powdery
alpha-methyl iononeFL/FR
(E)-alpha-methyl ionone (74-80%)FL/FR
spicy
para-anisyl formateFL/FR
isoeugenyl phenyl acetateFL/FR
 eugenyl phenyl acetateFL/FR
 spicy acetoacetateFL/FR
thujonic
 cistus cyclohexanoneFL/FR
waxy
 dihydrocitronellyl acetateFL/FR
1-dodecanolFL/FR
 methyl butyl phenyl acetateFL/FR
(E)-methyl geranateFL/FR
 phytyl acetateFL/FR
woody
 santalyl butyrateFL/FR
 santalyl phenyl acetateFL/FR
 
For Flavor
 
No flavor group found for these
isoamyl angelateFL/FR
 amyl angelateFL
 artemisyl ketoneFL/FR
 benzyl valerateFL/FR
 butyl 2-naphthyl etherFL/FR
2-butyl thiopheneFL
 cistus cyclohexanoneFL/FR
 citronellyl isovalerateFL/FR
 citronellyl valerateFL/FR
ortho-cresyl acetateFL/FR
2,4-difurfuryl furanFL
 dihydrocitronellyl acetateFL/FR
S-(2,5-dimethyl-3-furyl) ethane thioateFL
(E+Z)-4,8-dimethyl-3,7-nonadien-2-oneFL/FR
(R)-gamma-dodecalactoneFL/FR
 ethyl 3-hydroxyoctanoateFL
 ethyl ethyl anthranilateFL/FR
 ethyl hydrocinnamateFL/FR
 eugenyl phenyl acetateFL/FR
 fig leaf absoluteFL
(E)-2-hexen-1-yl phenyl acetateFL/FR
4-hydroxyphenethyl alcoholFL
 ionone mixed isomersFL/FR
 kewda absolute 
 linalool oxide acetatesFL/FR
 linalyl phenyl acetateFL/FR
 magnolia flower oil CO2 extractFL/FR
 methyl (E)-2-hexenoateFL/FR
 methyl benzyl acetate (mixed ortho-,meta-,para-)FL/FR
(E)-methyl geranateFL/FR
 methyl hydrocinnamateFL/FR
(±)-3-methyl-gamma-decalactoneFL/FR
2-nonanone propylene glycol acetalFL/FR
alpha-ocimeneFL/FR
 octyl isovalerateFL/FR
 phenethyl furoateFL/FR
1-phenyl propyl butyrateFL/FR
3-phenyl propyl formateFL/FR
2-phenyl propyl isobutyrateFL/FR
 phytyl acetateFL/FR
isopropyl anthranilateFL/FR
isopropyl benzoateFL/FR
 santalyl butyrateFL/FR
 santalyl phenyl acetateFL/FR
(R)-styralyl acetateFL/FR
 tetrahydrofurfuryl phenyl acetateFL/FR
 vitispiraneFL
isoamyl 3-(2-furan) propionateFL/FR
 benzyl acetoacetateFL/FR
isobutyl furyl propionateFL/FR
beta-damasconeFL/FR
anisic
para-anisyl phenyl acetateFL/FR
aromatic
 hyacinth acetalsFL/FR
berry
 heptyl isobutyrateFL/FR
brown
 beeswax absoluteFL/FR
burnt
 ethyl 2-furoateFL
citrus
 citronellyl oxyacetaldehydeFL/FR
 petitgrain lemon oilFL/FR
 petitgrain mandarin oilFL/FR
 styralyl propionateFL/FR
cocoa
isobutyl phenyl acetateFL/FR
ethereal
 methyl isobutyrateFL/FR
fatty
4-ethyl octanoic acidFL/FR
 methyl decanoateFL/FR
(E)-7-methyl-3-octen-2-oneFL/FR
floral
isoamyl phenyl acetateFL/FR
 cardamom absoluteFL/FR
(S)-citronellyl acetateFL/FR
 citronellyl hexanoateFL/FR
 citronellyl phenyl acetateFL/FR
 citronellyl propionateFL/FR
 cocoa pentenalFL/FR
 dihydrojasmoneFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
 geraniolFL/FR
 geranyl isobutyrateFL/FR
 geranyl phenyl acetateFL/FR
 linalyl butyrateFL/FR
2-methyl butyl 3-methyl butenoateFL
(E)-alpha-methyl ionone (74-80%)FL/FR
alpha-isomethyl ionone (90% min.)FL/FR
 methyl phenyl acetateFL/FR
bitter orangeflower absolute moroccoFL/FR
 orris rhizome concrete butter (iris pallida)FL/FR
 phenethyl anthranilateFL/FR
 phenethyl benzoateFL/FR
 phenethyl propionateFL/FR
 phenyl acetic acidFL/FR
 rhodinyl butyrateFL/FR
 rose absolute (rosa centifolia) moroccoFL/FR
 tropical iononeFL/FR
 tuberose absolute (from concrete)FL/FR
 tuberose absolute (from pommade)FL/FR
fruity
 allyl phenoxyacetateFL/FR
 apricot essenceFL/FR
 benzyl acetateFL/FR
 benzyl formateFL/FR
 benzyl isobutyrateFL/FR
 benzyl propionateFL/FR
isobutyl anthranilateFL/FR
 citronellyl butyrateFL/FR
 citronellyl isobutyrateFL/FR
(E)-beta-damasconeFL/FR
(Z)-beta-damasconeFL/FR
 ethyl anthranilateFL/FR
 ethyl levulinateFL/FR
2-heptanolFL/FR
2-hexyl-4-acetoxytetrahydrofuranFL
 methoxymelonalFL/FR
 methyl (Z)-3-hexenoateFL/FR
 methyl 4-phenyl butyrateFL
para-methyl benzyl acetateFL/FR
alpha-methyl iononeFL/FR
3-nonanon-1-yl acetateFL/FR
(Z)-3-octen-1-yl propionateFL/FR
 osmanthus concreteFL/FR
 osmanthus flower absoluteFL/FR
 phenethyl isovalerateFL/FR
2-phenyl-4-pentenalFL
 sambucus canadensis fruit absoluteFL/FR
 star fruit oil cubaFL/FR
 strawberry glycidate 1 (aldehyde C-16 (so-called))FL/FR
 strawberry glycidate 2FL/FR
 tagete oil madagascarFL/FR
 terpinyl valerateFL/FR
4-(para-tolyl)-2-butanoneFL/FR
green
(E)-citronellyl tiglateFL/FR
 cocoa butenalFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
(E)-3-hexenoic acidFL
 immortelle absoluteFL/FR
isojasmoneFL/FR
 phenoxyethyl isobutyrateFL/FR
2-phenyl propyl alcoholFL/FR
herbal
 matricaria chamomilla flower oilFL/FR
honey
 allyl phenyl acetateFL/FR
 butyl phenyl acetateFL/FR
 ethyl phenyl acetateFL/FR
 phenethyl acetateFL/FR
 phenethyl isobutyrateFL/FR
 phenethyl phenyl acetateFL/FR
 phenyl acetaldehydeFL/FR
 propyl phenyl acetateFL/FR
isopropyl phenyl acetateFL/FR
leafy
 methyl butyl phenyl acetateFL/FR
phenolic
para-cresyl phenyl acetateFL/FR
 guaiacyl phenyl acetateFL/FR
 phenyl pyruvic acidFL/FR
soapy
1-dodecanolFL/FR
sour
2,4-dimethyl-2-pentenoic acidFL
spicy
para-anisyl formateFL/FR
 benzyl cinnamateFL/FR
 cinnamyl formateFL/FR
isoeugenyl phenyl acetateFL/FR
3-phenyl propyl alcoholFL/FR
 spicy acetoacetateFL/FR
sweet
 cyclohexyl acetic acidFL/FR
tropical
alpha-amyl cinnamaldehydeFL/FR
3-mercaptohexyl acetateFL/FR
waxy
 butyl undecylenateFL/FR
(Z,Z)-3,6-nonadien-1-olFL/FR
(Z)-6-nonen-1-olFL/FR
 phenethyl hexanoateFL/FR
4-phenyl-3-buten-2-olFL/FR
 rhodinyl phenyl acetateFL/FR
woody
 methyl ionyl acetateFL/FR
 
Synonyms   Articles   Notes   Search   Top
Potential Uses:
 almondFL
 almondFR
 appleFL
 crabappleFR
 apple green appleFL
 apple red appleFL
 apricotFL
 arrackFL
 bananaFL
 beeswax absolute replacerFR
 berry jamFR
 berry mixed berryFL
 blackberryFL
 blueberryFL
 boroniaFR
 boxwood berryFR
 boysenberryFL
 bramble arctic bramble blackberryFR
 brandy apricot brandyFL
 briar woodFR
 bubble gumFL
 cassieFR
 cherryFL
 cherry black cherryFL
 cherry maraschino cherryFL
 cherry wild cherryFL
 cloudberry bakeappleFL
 currantFR
 currant black currantFL
 currant red currantFL
 dateFL
 davana oil replacerFR
 durianFL
 elder berryFL
 elder flowerFR
 figFL
 floralFR
 fruitFR
 fruit dried fruit 
 fruit jam 
 fruit juicy fruitFR
 fruit punchFL
 fruit tropical fruitFL
 gooseberryFL
 grapeFL
 grape concord grapeFL
 grape white grapeFL
 guavaFL
 hibiscusFR
 honeyFL
 honeydewFL
 honeysuckleFR
 huckleberryFL
 immortelleFL/FR
 iris blossomFR
 jackfruitFL
 jam 
 kewdaFR
 kiwiFL
 loganberryFL
 lycheeFL
 mangoFL
 marigoldFL/FR
 melonFL
 melonFR
 mulberryFL
 myrtle oil replacerFR
 orange bitter orange peelFL/FR
 osmanthusFR
 papayaFL
 passion blossomFR
 passion fruitFR
 peachFL
 pearFL
 pear bartlett pearFL
 pear emperor pearFL
 pineappleFL
 plumFL
 plum greengage plumFL
 plum jam 
 plum mirabelle plumFR
 pomegranateFL
 pruneFL
 quinceFL
 raisinFL
 raspberryFL
 raspberry black raspberryFL
 raspberry green raspberry 
 raspberry jam 
 raspberry red raspberryFL
 ripe 
 rose wild rose 
 rueFL/FR
 stephanotisFR
 strawberryFL
 strawberry jam 
 tangerineFR
 tutti fruttiFL
 wallflowerFR
 watermelonFL
Synonyms   Articles   Notes   Search   Top
Occurrence (nature, food, other): note
 not found in nature
Synonyms   Articles   Notes   Search   Top
Synonyms:
1-acetoxy-1-acetyl cyclohexane
1-acetoxy-1-acetylcyclohexane
1-acetoxycyclohexyl acetate
1-acetoxycyclohexyl methyl ketone
(1-acetyl cyclohexyl) acetate
1-(1-(acetyl oxy)cyclohexyl) ethanone
1-acetylcyclohexyl acetate
(1-acetylcyclohexyl) acetate
1-(1-(acetyloxy)cyclohexyl)ethanone
 ethanone, 1-(1-(acetyloxy)cyclohexyl)-
 ethanone, 1-[1-(acetyloxy)cyclohexyl]-
1-hydroxycyclohexyl methyl ketone acetate
 ketone, 1-hydroxycyclohexyl methyl, acetate
 methyl 1-acetoxycyclohexyl ketone
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Synonyms   Articles   Notes   Search   Top
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