vanilla carboxylate
methyl cyclohexanecarboxylate
 
Notes:
Flavouring ingredient
  • CTC Organics
    • CTC Organics
      For More Than 40 Year
      Your source for rare aroma chemicals for the flavor and fragrance industy.
      “The world is run by middle men.” The number of times I have heard Dr. Liu utter those words are innumerable. He loved reciting and recording famous quotes and had many of his own. Among his many talents, Dr. Liu had a unique genius in the area of chemistry. He had an uncanny understanding of the pulse of the chemical industry and was a superb salesman.
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      Product(s):
      W1334 methyl cyclohexanecarboxylate
       
  • Penta International
    • Penta International Corporation
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      For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes.
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      US Email: Sales
      US Voice: (973) 740-2300
      US Fax: (973) 740-1839
      Product(s):
      13-37210 METHYL CYCLOHEXANE CARBOXYLATE, Kosher
       
  • TCI AMERICA
    • TCI AMERICA
      Moving Your Chemistry Forward
      We continuously strive to advance our technology.
      Tokyo Chemical Industry Co., Ltd. (TCI) is a leading worldwide manufacturer of specialty organic chemicals founded in 1946. TCI provides organic laboratory chemicals as well as pharmaceutical, cosmetic and functional materials. More than 60 years of synthesis experience and multi-purpose plants enable TCI to offer more than 27,000 products as well as custom synthesis. TCI established overseas facilities in North America, Europe, China and India to serve customers worldwide.
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      Product(s):
      C0471 Methyl Cyclohexanecarboxylate >98.0%(GC)
       
Synonyms   Articles   Notes   Search
methyl cyclohexanecarboxylate (Click)
CAS Number: 4630-82-4Picture of molecule
ECHA EINECS - REACH Pre-Reg: 225-050-2
FDA UNII: 96144H696Q
Beilstein Number: 1306359
MDL: MFCD00001458
CoE Number: 11920
XlogP3-AA: 2.20 (est)
Molecular Weight: 142.19798000
Formula: C8 H14 O2
NMR Predictor: Predict (works with chrome or firefox)
Category: flavor and fragrance 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
PubMed: Search
NCBI: Search
JECFA Food Flavoring: 962  methyl cyclohexanecarboxylate
Flavis Number: 09.536 (Old)
DG SANTE Food Flavourings: 09.536  methyl cyclohexanecarboxylate
FEMA Number: 3568  methyl cyclohexanecarboxylate
FDA Mainterm: METHYL CYCLOHEXANECARBOXYLATE
Synonyms   Articles   Notes   Search   Top
Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 98.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.99000 to 0.99900 @  25.00 °C.
Pounds per Gallon - (est).: 8.238 to  8.313
Refractive Index: 1.43900 to 1.44700 @  20.00 °C.
Boiling Point: 183.00 °C. @ 760.00 mm Hg
Boiling Point: 57.00 °C. @ 7.00 mm Hg
Acid Value: 2.00 max. KOH/g
Vapor Pressure: 0.788000 mm/Hg @ 25.00 °C. (est)
Flash Point: 140.00 °F. TCC ( 60.00 °C. )
logP (o/w): 2.248 (est)
Soluble in:
 alcohol
 water, 453.8 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
Odor Type: fruity
Odor Strength: medium ,
recommend smelling in a 10.00 % solution or less
 fruity  berry  estery  pineapple  milky  
Odor Description:
at 10.00 % in dipropylene glycol. 
fruity berry estery pineapple milk
Luebke, William tgsc, (1996)
 sweet  cooling  minty  fruity  
Odor Description:
sweet, cooling, minty and fruity
Mosciano, Gerard P&F 18, No. 4, 51, (1993)
 cooling  sweet  fruity  floral  
Taste Description:
at 20.00 ppm.  
Cooling, sweet, fruity and floral
Mosciano, Gerard P&F 18, No. 4, 51, (1993)
Substantivity: 200 Hour(s)
  
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Cosmetic Information:
None found
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Suppliers:
CTC Organics
methyl cyclohexanecarboxylate
Frinton Laboratories
For experimental / research use only.
Methyl Cyclohexanecarboxylate
Penta International
METHYL CYCLOHEXANE CARBOXYLATE, Kosher
Santa Cruz Biotechnology
For experimental / research use only.
Methyl cyclohexanecarboxylate
TCI AMERICA
For experimental / research use only.
Methyl Cyclohexanecarboxylate >98.0%(GC)
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Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
 
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] 3881 mg/kg
Study acceptable but number of dosage groups has not been referred.
(Moran et al., 1980)

oral-rat LD50  3881 mg/kg
Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for vanilla carboxylate usage levels up to:
  1.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.073 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.01 (μg/capita/day)
Structure Class: I
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: 11
Click here to view publication 11
 average usual ppmaverage maximum ppm
baked goods: -0.10000
beverages(nonalcoholic): -0.01000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: -0.05000
egg products: --
fats / oils: --
fish products: --
frozen dairy: -0.01000
fruit ices: -0.01000
gelatins / puddings: -0.10000
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: -0.01000
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
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 12 (FGE.12); Primary saturated or unsaturated alicyclic alcohol, aldehyde, and esters from chemical group 7 (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf
Primary saturated or unsaturated alicyclic alcohol, aldehyde, and esters from chemical group 7 - Flavouring Group Evaluation 12, Revision 1 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf
Flavouring Group Evaluation 73, (FGE.73)[1] - Consideration of alicyclic primary alcohols, aldehydes, acids and related esters evaluated by JECFA (59th meeting) structurally related to primary saturated or unsaturated alicyclic alcohol, aldehyde and esters evaluated by EFSA in FGE.12 (2005) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 73, Revision 1 (FGE.73Rev1): Consideration of alicyclic primary alcohols, aldehydes, acids and related esters evaluated by JECFA (59th meeting) structurally related to primary saturated or unsaturated alicyclic alcohol, aldehyde, and esters evaluated by EFSA in FGE.12Rev2 (2011)
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 73, Revision 2 (FGE.73Rev2): Consideration of alicyclic primary alcohols, aldehydes, acids and related esters evaluated by JECFA (59th meeting) structurally related to primary saturated or unsaturated alicyclic alcohols, aldehydes, acids and esters evaluated by EFSA in FGE.12Rev3 (2012)
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 73, Revision 3 (FGE.73Rev3): Consideration of alicyclic alcohols, aldehydes, acids and related esters evaluated by JECFA (59th and 63rd meeting) structurally related to primary saturated or unsaturated alicyclic alcohols, aldehydes, acids and esters evaluated by EFSA in FGE.12Rev4 (2013)
View page or View pdf
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 20748
National Institute of Allergy and Infectious Diseases: Data
WISER: UN 3272
WGK Germany: 2
 methyl cyclohexanecarboxylate
Chemidplus: 0004630824
RTECS: GU8599000 for cas# 4630-82-4
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References:
 methyl cyclohexanecarboxylate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 4630-82-4
Pubchem (cid): 20748
Pubchem (sid): 134986348
Flavornet: 4630-82-4
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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 Everything Added to Food in the United States (EAFUS): View
HMDB (The Human Metabolome Database): HMDB31343
FooDB: FDB003407
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Read: Under the conditions of intended use - New developments in the FEMA GRAS program and the safety assessment of flavor ingredients
Read: A GRAS assessment program for flavor ingredients
Read: Sensory testing for flavorings with modifying properties. Food Technology
Read: Criteria for the safety evaluation of flavoring substances
Read: A procedure for the safety evaluation of natural flavor complexes used as ingredients in food: essential oils
Read: FEMA Expert Panel: 30 Years of safety evaluation for the flavor industry
Read: Consumption ratio and food predominance of flavoring materials
Synonyms   Articles   Notes   Search   Top
Potential Blenders and core components note
 
For Odor
No odor group found for these
2,2,3-trimethyl cyclopentane ethanol 
aldehydic
2,6-dimethyl-2,18-nonadecadien-8-one 
 methyl furfuryl disulfideFL/FR
amber
 ambrette seed absoluteFL/FR
anisic
 ethyl para-anisateFL/FR
balsamic
 benzyl cinnamateFL/FR
3-phenyl propyl acetateFL/FR
buttery
 acetoinFL/FR
 butyl butyryl lactateFL/FR
caramellic
 maltyl isobutyrateFL/FR
 maple furanoneFL/FR
 shoyu furanoneFL/FR
chemical
isobutyl formateFL/FR
 propyl propionateFL/FR
citrus
2-ethyl-1-hexanolFL/FR
delta-nonalactoneFL/FR
creamy
para-vanillic acidFL/FR
ethereal
 ethyl acetateFL/FR
isopropyl formateFL/FR
 propyl formateFL/FR
fatty
4-methyl octanoic acidFL/FR
fermented
 butyl laevo-lactateFL/FR
floral
 acetophenoneFL/FR
 benzyl isobutyrateFL/FR
 citronellal diisotridecyl acetalFR
 citronellyl anthranilateFL/FR
alpha-damasconeFL/FR
(E)-geranyl acetoneFL/FR
beta-iononeFL/FR
isojasmoneFL/FR
isojasmoneFL/FR
(Z)-methyl epi-jasmonateFL/FR
alpha-isomethyl ionone (70% min.)FL/FR
alpha-isomethyl ionone (80% min.)FL/FR
 methyl jasmonateFL/FR
 mimosa absoluteFL/FR
 mimosa absolute franceFL/FR
 mimosa absolute indiaFL/FR
(E)-nerolidolFL/FR
 nerolin fragarolFL/FR
 neryl isovalerateFL/FR
bitter orangeflower absolute moroccoFL/FR
 osmanthus concreteFL/FR
 papaya isobutyrateFL/FR
 phenethyl butyrateFL/FR
 phenethyl hexanoateFL/FR
 rose butanoateFL/FR
 rose carboxylateFR
 rose oil (rosa damascena) russiaFL/FR
 rose oil (rosa damascena) turkeyFL/FR
 terpinyl valerateFL/FR
fruity
6-benzyl-2,6-dimethyl-2-cyclohexen-1-one 
3-benzyl-4-heptanoneFL/FR
 berry hexanoateFR
 bisaboleneFL/FR
isobutyl acetoacetateFL/FR
 butyl hexanoateFL/FR
1,8-dimethoxy-para-menthane 
 ethyl 2-hydroxy-3-methyl valerateFL/FR
 ethyl 3-(2-furyl) propanoateFL/FR
 ethyl 3-hydroxyhexanoateFL/FR
 ethyl benzoyl acetateFL/FR
 ethyl butyrateFL/FR
 ethyl isovalerateFL/FR
 ethyl lactateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
 ethyl propionateFL/FR
(E,E)-ethyl sorbateFL/FR
 heliotropyl isobutyrateFL/FR
2-hexen-1-olFL/FR
beta-ionone epoxideFL/FR
 linalyl isobutyrateFL/FR
 menthyl isovalerateFL/FR
 methyl 2-methyl valerateFL/FR
 methyl anthranilateFL/FR
 methyl heptanoateFL/FR
 neryl propionateFL/FR
3-nonen-2-oneFL/FR
 osmanthus flower absoluteFL/FR
2,6,9,10,10-pentamethyl-1-oxa-spiro[4.5]deca-3,6-diene 
isopropenyl acetateFL/FR
isopropyl 2-methyl butyrateFL/FR
 propyl butyrateFL/FR
 propyl hexanoateFL/FR
isopropyl octanoateFL/FR
 strawberry glycidate 2FL/FR
 styralyl butyrateFL/FR
 tropical iononeFL/FR
green
 acetaldehyde ethyl phenethyl acetalFL/FR
(Z)-3-hexen-1-yl 2-methyl butyrateFL/FR
 hexyl isobutyrateFL/FR
 ivy dioxolaneFR
 leafy acetalFL/FR
 neryl butyrateFL/FR
2-octen-1-olFL/FR
(E)-2-octen-1-olFL/FR
 phenyl acetaldehyde dimethyl acetalFL/FR
 thiogeraniolFL/FR
herbal
 artemisyl ketoneFL/FR
 hop oilFL/FR
(1S,5R)-myrtenyl acetateFL/FR
2,3,6-trimethyl-6-(3-methyl-2-buten-1-yl)-2-cyclohexen-1-one 
mentholic
 menthyl acetateFL/FR
 menthyl acetate racemicFL/FR
milky
laevo-glutamineCS
minty
 carvyl propionateFL/FR
 methyl 5-methyl salicylateFR
soapy
 ambrettolideFL/FR
spicy
(E)-propyl 2-furan acrylateFL/FR
sulfurous
 blackberry thiophenoneFL/FR
 buchu mercaptanFL/FR
vanilla
 ethyl vanillin isobutyrateFL/FR
waxy
 ethyl decanoateFL/FR
 ethyl palmitateFL/FR
2-methyl heptanoic acidFL/FR
(E)-2-octen-1-yl butyrateFL/FR
delta-tetradecalactoneFL/FR
2-tridecanoneFL/FR
woody
 cycloiononeFL/FR
 
For Flavor
 
No flavor group found for these
 allyl tiglateFL
 artemisyl ketoneFL/FR
6-benzyl-2,6-dimethyl-2-cyclohexen-1-one 
 blackberry thiophenoneFL/FR
2-butyl thiopheneFL
 carvyl propionateFL/FR
6-decenoic acidFL
2,6-dimethyl-2,18-nonadecadien-8-one 
 ethyl 2-hydroxy-3-methyl valerateFL/FR
 heliotropyl isobutyrateFL/FR
beta-ionone epoxideFL/FR
 menthyl acetate racemicFL/FR
(E)-2-octen-1-yl butyrateFL/FR
(E)-2-octen-4-olFL
 osmanthus flower absoluteFL/FR
2,6,9,10,10-pentamethyl-1-oxa-spiro[4.5]deca-3,6-diene 
2,3,6-trimethyl-6-(3-methyl-2-buten-1-yl)-2-cyclohexen-1-one 
dextro,laevo-3-(methyl thio) butanoneFL
acidic
(E)-2-hexenoic acidFL
anise
 ethyl para-anisateFL/FR
aromatic
 leafy acetalFL/FR
balsamic
3-phenyl propyl acetateFL/FR
berry
2,2,3-trimethyl cyclopentane ethanol 
buttery
 butyl laevo-lactateFL/FR
delta-tetradecalactoneFL/FR
cabbage
 methyl 2-thiofuroateFL
caramellic
 maple furanoneFL/FR
 shoyu furanoneFL/FR
citrus
 bisaboleneFL/FR
coconut
(R)-massoia lactoneFL
coffee
 methyl furfuryl disulfideFL/FR
cooling
 menthyl acetateFL/FR
creamy
 acetoinFL/FR
 butyl butyryl lactateFL/FR
delta-nonalactoneFL/FR
para-vanillic acidFL/FR
ethereal
 ethyl acetateFL/FR
isopropenyl acetateFL/FR
fatty
2-ethyl-1-hexanolFL/FR
4-methyl octanoic acidFL/FR
(E)-2-octen-1-olFL/FR
2-octen-1-olFL/FR
2-tridecanoneFL/FR
floral
(E)-geranyl acetoneFL/FR
 linalyl isobutyrateFL/FR
(Z)-methyl epi-jasmonateFL/FR
alpha-isomethyl ionone (70% min.)FL/FR
alpha-isomethyl ionone (80% min.)FL/FR
 methyl jasmonateFL/FR
bitter orangeflower absolute moroccoFL/FR
 rose oil (rosa damascena) russiaFL/FR
 rose oil (rosa damascena) turkeyFL/FR
 tropical iononeFL/FR
fruity
 benzyl isobutyrateFL/FR
3-benzyl-4-heptanoneFL/FR
isobutyl acetoacetateFL/FR
 butyl hexanoateFL/FR
 citronellyl anthranilateFL/FR
alpha-damasconeFL/FR
 ethyl 3-(2-furyl) propanoateFL/FR
 ethyl 3-hydroxyhexanoateFL/FR
 ethyl 3-oxohexanoateFL
 ethyl benzoyl acetateFL/FR
 ethyl butyrateFL/FR
 ethyl isovalerateFL/FR
 ethyl lactateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
 ethyl propionateFL/FR
(E,E)-ethyl sorbateFL/FR
 furfuryl isovalerateFL
2-furyl pentyl ketoneFL
2-hexen-1-olFL/FR
 menthyl isovalerateFL/FR
 methyl 2-methyl valerateFL/FR
 methyl anthranilateFL/FR
 methyl heptanoateFL/FR
(E,E)-methyl sorbateFL
 nerolin fragarolFL/FR
 neryl isovalerateFL/FR
 osmanthus concreteFL/FR
 phenethyl butyrateFL/FR
(E)-propyl 2-furan acrylateFL/FR
isopropyl 2-methyl butyrateFL/FR
 propyl butyrateFL/FR
isopropyl formateFL/FR
 propyl formateFL/FR
 propyl hexanoateFL/FR
isopropyl octanoateFL/FR
 rose butanoateFL/FR
 strawberry glycidate 2FL/FR
 styralyl butyrateFL/FR
 terpinyl valerateFL/FR
green
 acetaldehyde ethyl phenethyl acetalFL/FR
(E)-2-heptenalFL
(Z)-3-hexen-1-yl 2-methyl butyrateFL/FR
 hexyl isobutyrateFL/FR
isojasmoneFL/FR
isojasmoneFL/FR
(E)-nerolidolFL/FR
 neryl butyrateFL/FR
 neryl propionateFL/FR
 papaya isobutyrateFL/FR
 phenyl acetaldehyde dimethyl acetalFL/FR
herbal
 hop oilFL/FR
jammy
 maltyl isobutyrateFL/FR
minty
 thiogeraniolFL/FR
nutty
2-acetyl-1-methyl pyrroleFL
1,8-dimethoxy-para-menthane 
oily
3-nonen-2-oneFL/FR
powdery
 acetophenoneFL/FR
rummy
isobutyl formateFL/FR
soapy
 ambrettolideFL/FR
spicy
 benzyl cinnamateFL/FR
sulfurous
 buchu mercaptanFL/FR
S-ethyl thioacetateFL
tropical
 propyl propionateFL/FR
vanilla
 ethyl vanillin isobutyrateFL/FR
waxy
 ethyl decanoateFL/FR
 ethyl palmitateFL/FR
2-methyl heptanoic acidFL/FR
 mimosa absoluteFL/FR
 mimosa absolute franceFL/FR
 mimosa absolute indiaFL/FR
 phenethyl hexanoateFL/FR
woody
 ambrette seed absoluteFL/FR
 cycloiononeFL/FR
beta-iononeFL/FR
(1S,5R)-myrtenyl acetateFL/FR
 
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Potential Uses:
 bananaFR
 grapeFR
 mintFR
 vanillaFR
Synonyms   Articles   Notes   Search   Top
Occurrence (nature, food, other): note
 vanilla
Search  Picture
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Synonyms:
 cyclohexane carboxylic acid methyl ester
 cyclohexanecarboxylic acid methyl ester
 cyclohexanecarboxylic acid, methyl ester
 hexahydrobenzoic acid methyl ester
 methyl cyclohexane carboxylate
 methyl cyclohexanecarboxylate
 methyl cyclohexanoate
 methyl cyclohexyl carboxylate
 methyl cyclohexyl formate
 methyl cyclohexylcarboxylate
 methyl cyclohexylformate
 methyl hexahydrobenzoate
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