EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

vanilla carboxylate
methyl cyclohexanecarboxylate

Sponsors

Name:methyl cyclohexanecarboxylate
CAS Number: 4630-82-4Picture of molecule3D/inchi
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:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: METHYL CYCLOHEXANECARBOXYLATE
 
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
 
Organoleptic Properties:
Odor Type: fruity
Odor Strength:medium ,
recommend smelling in a 10.00 % solution or less
Substantivity:200 hour(s) at 100.00 %
fruity berry estery pineapple milky
Odor Description:at 10.00 % in dipropylene glycol. fruity berry estery pineapple milk
Luebke, William tgsc, (1996)
Odor sample from: McCormick Flavor Division
sweet cooling minty fruity
Odor Description:sweet, cooling, minty and fruity
Mosciano, Gerard P&F 18, No. 4, 51, (1993)
Flavor Type: fruity
cooling fruity ethereal banana musty creamy tropical floral
Taste Description: cooling fruity ethereal banana musty creamy tropical floral
cooling sweet fruity floral
Taste Description: at 20.00 ppm. Cooling, sweet, fruity and floral
Mosciano, Gerard P&F 18, No. 4, 51, (1993)
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
Methyl cyclohexane carboxylate 98%
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
Synerzine
Methyl Cyclohexanecarboxylate
TCI AMERICA
For experimental / research use only.
Methyl Cyclohexanecarboxylate >98.0%(GC)
 
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
 
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
 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: --
 
Safety References:
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

Scientific Opinion on Flavouring Group Evaluation 73, Revision 4 (FGE.73Rev4): 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.12Rev5
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
 
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
 
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
 
Potential Blenders and core components note
For Odor
alliaceous
methyl furfuryl disulfide
FL/FR
amber
ambrette seed absolute
FL/FR
anisic
ethyl para-anisate
FL/FR
balsamic
benzyl cinnamate
FL/FR
3-
phenyl propyl acetate
FL/FR
buttery
acetoin
FL/FR
butyl butyryl lactate
FL/FR
caramellic
maltyl isobutyrate
FL/FR
maple furanone
FL/FR
shoyu furanone
FL/FR
chemical
iso
butyl formate
FL/FR
propyl propionate
FL/FR
citrus
2-
ethyl-1-hexanol
FL/FR
coconut
delta-
nonalactone
FL/FR
creamy
para-
vanillic acid
FL/FR
ethereal
ethyl acetate
FL/FR
ethyl pyruvate
FL/FR
methyl acetate
FL/FR
iso
propyl formate
FL/FR
propyl formate
FL/FR
fatty
4-
methyl octanoic acid
FL/FR
5-
methyl-5-hexen-2-one
FL/FR
fermented
iso
amyl alcohol
FL/FR
butyl laevo-lactate
FL/FR
floral
acetophenone
FL/FR
benzyl isobutyrate
FL/FR
citronellal diisotridecyl acetal
FR
citronellyl anthranilate
FL/FR
alpha-
damascone
FL/FR
(E)-
geranyl acetone
FL/FR
beta-
ionone
FL/FR
iso
jasmone
FL/FR
iso
jasmone
FL/FR
(Z)-
methyl epi-jasmonate
FL/FR
alpha-iso
methyl ionone (70% min.)
FL/FR
alpha-iso
methyl ionone (80% min.)
FL/FR
methyl jasmonate
FL/FR
mimosa absolute
FL/FR
mimosa absolute france
FL/FR
mimosa absolute india
FL/FR
(E)-
nerolidol
FL/FR
nerolin fragarol
FL/FR
neryl isovalerate
FL/FR
bitter
orangeflower absolute morocco
FL/FR
osmanthus concrete
FL/FR
papaya isobutyrate
FL/FR
phenethyl butyrate
FL/FR
phenethyl hexanoate
FL/FR
rose butanoate
FL/FR
rose carboxylate
FR
rose oil (rosa damascena) russia
FL/FR
rose oil (rosa damascena) turkey
FL/FR
terpinyl valerate
FL/FR
fruity
3-
benzyl-4-heptanone
FL/FR
berry hexanoate
FR
bisabolene
FL/FR
iso
butyl acetoacetate
FL/FR
butyl hexanoate
FL/FR
ethyl 2-hydroxy-3-methyl valerate
FL/FR
ethyl 3-(2-furyl) propanoate
FL/FR
ethyl 3-hydroxyhexanoate
FL/FR
ethyl benzoyl acetate
FL/FR
ethyl butyrate
FL/FR
ethyl isobutyrate
FL/FR
ethyl isovalerate
FL/FR
ethyl lactate
FL/FR
ethyl methyl-para-tolyl glycidate
FL/FR
ethyl propionate
FL/FR
(E,E)-
ethyl sorbate
FL/FR
heliotropyl isobutyrate
FL/FR
2-
hexen-1-ol
FL/FR
beta-
ionone epoxide
FL/FR
linalyl isobutyrate
FL/FR
menthyl isovalerate
FL/FR
methyl 2-methyl butyrate
FL/FR
methyl 2-methyl valerate
FL/FR
methyl anthranilate
FL/FR
methyl heptanoate
FL/FR
methyl isobutyrate
FL/FR
methyl propionate
FL/FR
neryl propionate
FL/FR
3-
nonen-2-one
FL/FR
osmanthus flower absolute
FL/FR
iso
propenyl acetate
FL/FR
iso
propyl 2-methyl butyrate
FL/FR
propyl acetate
FL/FR
propyl butyrate
FL/FR
propyl hexanoate
FL/FR
iso
propyl octanoate
FL/FR
strawberry glycidate 2
FL/FR
styralyl butyrate
FL/FR
tropical ionone
FL/FR
green
acetaldehyde ethyl phenethyl acetal
FL/FR
(Z)-3-
hexen-1-yl 2-methyl butyrate
FL/FR
hexyl isobutyrate
FL/FR
ivy dioxolane
FR
leafy acetal
FL/FR
neryl butyrate
FL/FR
2-
octen-1-ol
FL/FR
(E)-2-
octen-1-ol
FL/FR
phenyl acetaldehyde dimethyl acetal
FL/FR
thiogeraniol
FL/FR
herbal
artemisyl ketone
FL/FR
hop oil
FL/FR
(1S,5R)-
myrtenyl acetate
FL/FR
mentholic
menthyl acetate
FL/FR
menthyl acetate racemic
FL/FR
milky
laevo-
glutamine
CS
minty
carvyl propionate
FL/FR
methyl 5-methyl salicylate
FR
soapy
ambrettolide
FL/FR
spicy
(E)-
propyl 2-furan acrylate
FL/FR
sulfurous
blackberry thiophenone
FL/FR
buchu mercaptan
FL/FR
vanilla
ethyl vanillin isobutyrate
FL/FR
waxy
ethyl decanoate
FL/FR
ethyl palmitate
FL/FR
2-
methyl heptanoic acid
FL/FR
(E)-2-
octen-1-yl butyrate
FL/FR
delta-
tetradecalactone
FL/FR
2-
tridecanone
FL/FR
woody
cycloionone
FL/FR
4-
hydroxybenzaldehyde
FL/FR
For Flavor
No flavor group found for these
allyl tiglate
FL
artemisyl ketone
FL/FR
blackberry thiophenone
FL/FR
2-
butyl thiophene
FL
carvyl propionate
FL/FR
6-
decenoic acid
FL
ethyl 2-hydroxy-3-methyl valerate
FL/FR
beta-
ionone epoxide
FL/FR
menthyl acetate racemic
FL/FR
(E)-2-
octen-1-yl butyrate
FL/FR
(E)-2-
octen-4-ol
FL
osmanthus flower absolute
FL/FR
acidic
acidic
(E)-2-
hexenoic acid
FL
anise
ethyl para-anisate
FL/FR
aromatic
leafy acetal
FL/FR
balsamic
3-
phenyl propyl acetate
FL/FR
buttery
butyl laevo-lactate
FL/FR
cabbage
methyl 2-thiofuroate
FL
caramellic
maple furanone
FL/FR
shoyu furanone
FL/FR
citrus
bisabolene
FL/FR
coconut
(R)-
massoia lactone
FL
coffee
methyl furfuryl disulfide
FL/FR
cooling
menthyl acetate
FL/FR
creamy
acetoin
FL/FR
butyl butyryl lactate
FL/FR
4-
hydroxybenzaldehyde
FL/FR
delta-
nonalactone
FL/FR
para-
vanillic acid
FL/FR
estery
propyl acetate
FL/FR
ethereal
ethyl acetate
FL/FR
ethyl isobutyrate
FL/FR
methyl acetate
FL/FR
methyl isobutyrate
FL/FR
5-
methyl-5-hexen-2-one
FL/FR
iso
propenyl acetate
FL/FR
fatty
2-
ethyl-1-hexanol
FL/FR
4-
methyl octanoic acid
FL/FR
2-
octen-1-ol
FL/FR
(E)-2-
octen-1-ol
FL/FR
2-
tridecanone
FL/FR
floral
(E)-
geranyl acetone
FL/FR
linalyl isobutyrate
FL/FR
(Z)-
methyl epi-jasmonate
FL/FR
alpha-iso
methyl ionone (70% min.)
FL/FR
alpha-iso
methyl ionone (80% min.)
FL/FR
methyl jasmonate
FL/FR
bitter
orangeflower absolute morocco
FL/FR
rose oil (rosa damascena) russia
FL/FR
rose oil (rosa damascena) turkey
FL/FR
tropical ionone
FL/FR
fruity
benzyl isobutyrate
FL/FR
3-
benzyl-4-heptanone
FL/FR
iso
butyl acetoacetate
FL/FR
butyl hexanoate
FL/FR
citronellyl anthranilate
FL/FR
alpha-
damascone
FL/FR
ethyl 3-(2-furyl) propanoate
FL/FR
ethyl 3-hydroxyhexanoate
FL/FR
ethyl 3-oxohexanoate
FL
ethyl benzoyl acetate
FL/FR
ethyl butyrate
FL/FR
ethyl isovalerate
FL/FR
ethyl lactate
FL/FR
ethyl methyl-para-tolyl glycidate
FL/FR
ethyl propionate
FL/FR
(E,E)-
ethyl sorbate
FL/FR
furfuryl isovalerate
FL
2-
furyl pentyl ketone
FL
heliotropyl isobutyrate
FL/FR
2-
hexen-1-ol
FL/FR
menthyl isovalerate
FL/FR
methyl 2-methyl butyrate
FL/FR
methyl 2-methyl valerate
FL/FR
methyl anthranilate
FL/FR
methyl heptanoate
FL/FR
methyl propionate
FL/FR
(E,E)-
methyl sorbate
FL
nerolin fragarol
FL/FR
neryl isovalerate
FL/FR
osmanthus concrete
FL/FR
phenethyl butyrate
FL/FR
(E)-
propyl 2-furan acrylate
FL/FR
iso
propyl 2-methyl butyrate
FL/FR
propyl butyrate
FL/FR
propyl formate
FL/FR
iso
propyl formate
FL/FR
propyl hexanoate
FL/FR
iso
propyl octanoate
FL/FR
rose butanoate
FL/FR
strawberry glycidate 2
FL/FR
styralyl butyrate
FL/FR
terpinyl valerate
FL/FR
fusel
iso
amyl alcohol
FL/FR
green
acetaldehyde ethyl phenethyl acetal
FL/FR
(E)-2-
heptenal
FL
(Z)-3-
hexen-1-yl 2-methyl butyrate
FL/FR
hexyl isobutyrate
FL/FR
iso
jasmone
FL/FR
iso
jasmone
FL/FR
(E)-
nerolidol
FL/FR
neryl butyrate
FL/FR
neryl propionate
FL/FR
papaya isobutyrate
FL/FR
phenyl acetaldehyde dimethyl acetal
FL/FR
herbal
hop oil
FL/FR
jammy
maltyl isobutyrate
FL/FR
milky
dextro,laevo-3-(
methyl thio) butanone
FL
minty
thiogeraniol
FL/FR
nutty
2-
acetyl-1-methyl pyrrole
FL
oily
3-
nonen-2-one
FL/FR
powdery
acetophenone
FL/FR
pungent
acetaldehyde
FL
rummy
iso
butyl formate
FL/FR
ethyl pyruvate
FL/FR
soapy
ambrettolide
FL/FR
spicy
benzyl cinnamate
FL/FR
sulfurous
buchu mercaptan
FL/FR
S-
ethyl thioacetate
FL
tropical
propyl propionate
FL/FR
vanilla
ethyl vanillin isobutyrate
FL/FR
waxy
ethyl decanoate
FL/FR
ethyl palmitate
FL/FR
2-
methyl heptanoic acid
FL/FR
mimosa absolute
FL/FR
mimosa absolute france
FL/FR
mimosa absolute india
FL/FR
phenethyl hexanoate
FL/FR
delta-
tetradecalactone
FL/FR
woody
ambrette seed absolute
FL/FR
cycloionone
FL/FR
beta-
ionone
FL/FR
(1S,5R)-
myrtenyl acetate
FL/FR
 
Potential Uses:
FRbanana
FRgrape
FRmint
FRvanilla
 
Occurrence (nature, food, other):note
 vanilla
Search Picture
 
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
 
 
Notes:
Flavouring ingredient
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