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.
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      Product(s):
      W1334 methyl cyclohexanecarboxylate
       
  • Penta International
    • Penta International Corporation
      Chemistry innovation
      At Penta, our products and services help businesses do business better.
      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.
      US Email: Technical Services
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      Product(s):
      13-37210 METHYL CYCLOHEXANE CARBOXYLATE, Kosher
       
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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
IBM Patents: Obtain
Obtain
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
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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
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Potential Blenders and core components note
 
For Odor
alliaceous
 methyl furfuryl disulfideFL/FR
amber
 ambrette seed absoluteFL/FR
buttery
 acetoinFL/FR
 butyl butyryl lactateFL/FR
caramellic
 maltyl isobutyrateFL/FR
delta-nonalactoneFL/FR
creamy
para-vanillic acidFL/FR
ethereal
 propyl formateFL/FR
fatty
4-methyl octanoic acidFL/FR
fermented
 butyl laevo-lactateFL/FR
floral
alpha-damasconeFL/FR
beta-iononeFL/FR
 nerolin fragarolFL/FR
 rose carboxylateFR
fruity
3-benzyl-4-heptanoneFL/FR
 berry hexanoateFR
 butyl hexanoateFL/FR
 ethyl 2-hydroxy-3-methyl valerateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
 heliotropyl isobutyrateFL/FR
beta-ionone epoxideFL/FR
 methyl 2-methyl valerateFL/FR
3-nonen-2-oneFL/FR
 osmanthus flower absoluteFL/FR
isopropenyl acetateFL/FR
 styralyl butyrateFL/FR
(Z)-3-hexen-1-yl 2-methyl butyrateFL/FR
 ivy dioxolaneFR
 thiogeraniolFL/FR
mentholic
 menthyl acetate racemicFL/FR
soapy
 ambrettolideFL/FR
sulfurous
 blackberry thiophenoneFL/FR
 buchu mercaptanFL/FR
vanilla
 ethyl vanillin isobutyrateFL/FR
waxy
 ethyl palmitateFL/FR
2-methyl heptanoic acidFL/FR
(E)-2-octen-1-yl butyrateFL/FR
delta-tetradecalactoneFL/FR
2-tridecanoneFL/FR
 
For Flavor
 
No flavor group found for these
 allyl tiglateFL
 blackberry thiophenoneFL/FR
2-butyl thiopheneFL
6-decenoic acidFL
 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
buttery
 butyl laevo-lactateFL/FR
cabbage
 methyl 2-thiofuroateFL
caramellic
 maltyl isobutyrateFL/FR
coconut
(R)-massoia lactoneFL
coffee
 methyl furfuryl disulfideFL/FR
creamy
 acetoinFL/FR
 butyl butyryl lactateFL/FR
delta-nonalactoneFL/FR
para-vanillic acidFL/FR
dairy
dextro,laevo-3-(methyl thio) butanoneFL
ethereal
isopropenyl acetateFL/FR
fatty
4-methyl octanoic acidFL/FR
delta-tetradecalactoneFL/FR
2-tridecanoneFL/FR
fruity
3-benzyl-4-heptanoneFL/FR
 butyl hexanoateFL/FR
alpha-damasconeFL/FR
 ethyl 3-oxohexanoateFL
 ethyl methyl-para-tolyl glycidateFL/FR
 furfuryl isovalerateFL
 methyl 2-methyl valerateFL/FR
 nerolin fragarolFL/FR
 propyl formateFL/FR
 styralyl butyrateFL/FR
green
(Z)-3-hexen-1-yl 2-methyl butyrateFL/FR
minty
 thiogeraniolFL/FR
oily
3-nonen-2-oneFL/FR
soapy
 ambrettolideFL/FR
sulfurous
 buchu mercaptanFL/FR
vanilla
 ethyl vanillin isobutyrateFL/FR
waxy
 ethyl palmitateFL/FR
2-methyl heptanoic acidFL/FR
woody
 ambrette seed absoluteFL/FR
beta-iononeFL/FR
 
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Potential Uses:
 bananaFR
 grapeFR
 mintFR
 vanillaFR
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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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