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

cyclohexyl carboxylic acid
benzoic acid, hexahydro-

Sponsors

Name:cyclohexanecarboxylic acid
CAS Number: 98-89-5Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:202-711-3
FDA UNII:H9VKD9VL18
Nikkaji Web:J38.185C
Beilstein Number:0970529
MDL:MFCD00001461
CoE Number:11911
XlogP3-AA:1.90 (est)
Molecular Weight:128.17104000
Formula:C7 H12 O2
BioActivity Summary:listing
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:961 cyclohexanecarboxylic acid
FLAVIS Number:08.060 (Old)
DG SANTE Food Flavourings:08.060 cyclohexanecarboxylic acid
FEMA Number:3531 cyclohexanecarboxylic acid
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: CYCLOHEXANECARBOXYLIC ACID
 
Physical Properties:
Appearance:white crystalline solid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.02900 to 1.03700 @ 25.00 °C.
Pounds per Gallon - (est).: 8.562 to 8.629
Refractive Index:1.51600 to 1.52000 @ 20.00 °C.
Melting Point: 28.00 to 32.00 °C. @ 760.00 mm Hg
Boiling Point: 232.00 to 233.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.039000 mm/Hg @ 25.00 °C.
Flash Point:> 230.00 °F. TCC ( > 110.00 °C. )
logP (o/w): 1.960
Soluble in:
 alcohol
 water, 4919 mg/L @ 25 °C (est)
 water, 4600 mg/L @ 25 °C (exp)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: fruity
fruity acidic metallic cheesy tropical
Odor Description:fruity acidic metallic cheese tropical
fruity acidic metallic cheesy fruit tropical fruit
Odor Description:Fruity, acidic, metallic, with a cheesy tropical fruit nuance
Mosciano, Gerard P&F 17, No. 4, 33, (1992)
Flavor Type: fruity
fruity woody berry green dirty
Taste Description: at 5.00 ppm. Fruity, woody, berry-like with green dirty nuances
Mosciano, Gerard P&F 17, No. 4, 33, (1992)
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Beijing Lys Chemicals
Cyclohexyl carboxylic acid
BOC Sciences
For experimental / research use only.
Cyclohexylcarboxylic Acid
EMD Millipore
For experimental / research use only.
Cyclohexylcarboxylic Acid
Lluch Essence
CYCLOHEXYL CARBOXYLIC ACID
M&U International
CYCLOHEXANECARBOXYLIC ACID, Kosher
Penta International
CYCLOHEXANECARBOXYLIC ACID, Kosher, Halal
Sigma-Aldrich
Cyclohexanecarboxylic acid, ≥98%, FG
Odor: fruity; fatty
Certified Food Grade Products
Synerzine
Cyclohexane Carboxylic Acid
TCI AMERICA
For experimental / research use only.
Cyclohexylcarboxylic Acid >98.0%(T)
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 37/38 - Irritating to respiratory system and skin.
R 41 - Risk of serious damage to 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 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
 
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] 3265 mg/kg
Study acceptable but number of dosage groups, and thus number of animals tested, has not been referred.
(Moran et al., 1980)

oral-rat LD50 3265 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 cyclohexyl carboxylic acid usage levels up to:
  0.0500 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.061 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 4.00 (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: -2.00000
beverages(nonalcoholic): -1.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: -1.50000
condiments / relishes: --
confectionery froastings: -2.00000
egg products: --
fats / oils: --
fish products: --
frozen dairy: -1.00000
fruit ices: -1.00000
gelatins / puddings: -1.00000
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: --
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
Toxicology Citations:Search
Env. Mutagen Info. Center:Search
EPA Substance Registry Services (TSCA):98-89-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :7413
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
cyclohexanecarboxylic acid
Chemidplus:0000098895
RTECS:GU8370000 for cas# 98-89-5
 
References:
 cyclohexanecarboxylic acid
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:98-89-5
Pubchem (cid):7413
Pubchem (sid):134971468
 
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
CHEBI:View
Metabolomics Database:Search
KEGG (GenomeNet):C09822
HMDB (The Human Metabolome Database):HMDB31342
FooDB:FDB003406
Export Tariff Code:2916.20.5000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
No odor group found for these
2-
ethyl-N-methyl-N-(3-methyl phenyl) butyramide
FR
prunus serotina bark extract
FL/FR
acidic
acidic
iso
butyric acid
FL/FR
cyclohexyl acetic acid
FL/FR
2-
ethyl butyric acid
FL/FR
2-
methyl butyric acid
FL/FR
buttery
acetyl propionyl
FL/FR
butyl butyryl lactate
FL/FR
2,3-
heptane dione
FL/FR
caramellic
maltyl isobutyrate
FL/FR
cheesy
butyric acid
FL/FR
2-
methyl hexanoic acid
FL/FR
S-(
methyl thio) butyrate
FL/FR
2-
methyl valeric acid
FL/FR
2-
methyl-2-hexenoic acid
FR
iso
valeric acid
FL/FR
chemical
1-(2-
methyl allyl oxy) octane
FR
propyl propionate
FL/FR
fatty
allyl octanoate
FL/FR
hexanoic acid
FL/FR
floral
cassis specialty
FR
citronellyl butyrate
FL/FR
alpha-
damascone
FL/FR
greenhouse fragrance
FR
hyacinth ether
FR
beta-
ionol
FL/FR
beta-
ionone
FL/FR
alpha-
irone
FL/FR
lily propanol
FR
nerolidol
FL/FR
orris rhizome absolute (iris germanica)
FL/FR
orris rhizome absolute (iris pallida)
FL/FR
orris rhizome oil (iris germanica)
FL/FR
petitgrain oil fractions
FR
phenethyl acetate
FL/FR
phenethyl butyrate
FL/FR
fruity
apple ketal
FL/FR
berry pentadienoate
FL/FR
butyl isobutyrate
FL/FR
cherry pentenoate
FL/FR
citronellyl isobutyrate
FL/FR
(E)-alpha-
damascone
FL/FR
gamma-
dodecalactone
FL/FR
ethyl 3-hexenoate
FL/FR
ethyl benzoyl acetate
FL/FR
ethyl lactate
FL/FR
filbert hexenone
FL/FR
grape butyrate
FL/FR
4-
heptanone
FL/FR
methyl 4-methyl valerate
FL/FR
2-
methyl butyl isovalerate
FL/FR
prenyl hexanoate
FL/FR
propyl hexanoate
FL/FR
sorbyl butyrate
FL/FR
tetrahydrofurfuryl butyrate
FL/FR
tropical indene
FR
tropical ionone
FL/FR
tropical thiazole
FL/FR
green
cognac heptanone
FL/FR
ethyl (E,Z)-2,4-decadienoate
FL/FR
heptanal dimethyl acetal
FL/FR
(Z)-3-
hepten-1-yl acetate
FL/FR
(E)-2-
hexenal
FL/FR
1-
penten-3-ol
FL/FR
styralyl acetate
FL/FR
herbal
hop oil
FL/FR
2-
pentyl acetate
FL/FR
viridiflorol
FL/FR
melon
(Z)-6-
nonen-1-yl acetate
FL/FR
mentholic
iso
pulegyl acetate
FL/FR
nutty
nutty quinoxaline
FL/FR
powdery
(E)-alpha-
methyl ionone (74-80%)
FL/FR
spicy
cinnamon bark oil (cinnamomum zeylanicum) india
FL/FR
cinnamon bark oil ceylon
FL/FR
sulfurous
buchu mercaptan
FL/FR
cassis pentanone
FL/FR
mango thiol
FL/FR
(S)-1-
methoxy-3-heptane thiol
FL/FR
passiflora acetate
FL/FR
tropical
ethyl (Z)-3-hexenoate
FL/FR
tropical 3-thiobutyrate
FL/FR
2-
tropical oxathiane
FL/FR
waxy
2-
methyl heptanoic acid
FL/FR
nonanoic acid
FL/FR
2-
nonanol
FL/FR
orris rhizome oil CO2 extract
FL/FR
undecanoic acid
FL/FR
For Flavor
No flavor group found for these
ethyl (Z)-3-hexenoate
FL/FR
ethyl 3-octenoate
FL
ethyl cyclohexyl carboxylate
FL
(E,E)-2,4-
heptadien-1-ol
FL
(Z)-3-
hepten-1-yl acetate
FL/FR
(Z)-3-
hexenoic acid
FL
5-
methyl hexanoic acid
FL
4-
methyl valeric acid
FL
prenyl hexanoate
FL/FR
2-
tropical oxathiane
FL/FR
viridiflorol
FL/FR
acidic
acidic
iso
butyric acid
FL/FR
2-
ethyl butyric acid
FL/FR
alliaceous
tropical thiazole
FL/FR
berry
(S)-1-
methoxy-3-heptane thiol
FL/FR
buttery
2,3-
heptane dione
FL/FR
2-
methyl valeric acid
FL/FR
(E)-2-
pentenoic acid
FL
cheesy
hexanoic acid
FL/FR
methyl ketones
FL
iso
valeric acid
FL/FR
citrus
cognac heptanone
FL/FR
creamy
acetoin butyrate
FL
butyl butyryl lactate
FL/FR
2-
methyl-4-pentenoic acid
FL
dairy
4-
pentenoic acid
FL
2-
pentyl acetate
FL/FR
ethereal
4-
hexen-3-one
FL
fatty
allyl octanoate
FL/FR
dimethyl sulfoxide
FL
nonanoic acid
FL/FR
(E)-2-
octenoic acid
FL
fermented
methyl thio isovalerate
FL
floral
beta-
ionol
FL/FR
(E)-alpha-
methyl ionone (74-80%)
FL/FR
orris rhizome oil (iris germanica)
FL/FR
tropical ionone
FL/FR
fruity
apple ketal
FL/FR
berry pentadienoate
FL/FR
butyl isobutyrate
FL/FR
cherry pentenoate
FL/FR
citronellyl butyrate
FL/FR
citronellyl isobutyrate
FL/FR
alpha-
damascone
FL/FR
(E)-alpha-
damascone
FL/FR
gamma-
dodecalactone
FL/FR
ethyl 3-hexenoate
FL/FR
ethyl benzoyl acetate
FL/FR
ethyl lactate
FL/FR
filbert hexenone
FL/FR
furfuryl valerate
FL
4-
heptanone
FL/FR
methyl 4-methyl valerate
FL/FR
2-
methyl butyl isovalerate
FL/FR
2-
methyl butyric acid
FL/FR
(Z)-3-
nonen-1-yl acetate
FL
phenethyl butyrate
FL/FR
propyl hexanoate
FL/FR
prunus serotina bark extract
FL/FR
sorbyl butyrate
FL/FR
styralyl acetate
FL/FR
tetrahydrofurfuryl butyrate
FL/FR
green
cassis pentanone
FL/FR
ethyl (E,Z)-2,4-decadienoate
FL/FR
grape butyrate
FL/FR
heptanal dimethyl acetal
FL/FR
(E)-2-
hexenal
FL/FR
nerolidol
FL/FR
(Z)-6-
nonen-1-yl acetate
FL/FR
1-
penten-3-ol
FL/FR
herbal
hop oil
FL/FR
honey
phenethyl acetate
FL/FR
jammy
maltyl isobutyrate
FL/FR
meaty
2-
methyl 3-(methyl thio) furan
FL
musty
S-(
methyl thio) butyrate
FL/FR
nutty
nutty quinoxaline
FL/FR
oily
2-
methyl hexanoic acid
FL/FR
sour
butyric acid
FL/FR
2,4-
dimethyl-2-pentenoic acid
FL
3-
methyl valeric acid
FL
spicy
cinnamon bark oil (cinnamomum zeylanicum) india
FL/FR
cinnamon bark oil ceylon
FL/FR
sulfurous
buchu mercaptan
FL/FR
mango thiol
FL/FR
methyl 2-(methyl thio) butyrate
FL
methyl 4-(methyl thio) butyrate
FL
methyl thiomethyl butyrate
FL
tropical 3-thiobutyrate
FL/FR
sweet
cyclohexyl acetic acid
FL/FR
orris rhizome absolute (iris germanica)
FL/FR
orris rhizome absolute (iris pallida)
FL/FR
toasted
acetyl propionyl
FL/FR
tropical
passiflora acetate
FL/FR
propyl propionate
FL/FR
waxy
furfuryl octanoate
FL
2-
methyl heptanoic acid
FL/FR
2-
nonanol
FL/FR
undecanoic acid
FL/FR
woody
beta-
ionone
FL/FR
alpha-
irone
FL/FR
orris rhizome oil CO2 extract
FL/FR
iso
pulegyl acetate
FL/FR
 
Potential Uses:
FRblueberry
FRcherry
 fruit tropical fruit
FRpineapple
FRraisin
FRraspberry
 
Occurrence (nature, food, other):note
 coffee
Search PMC Picture
 
Synonyms:
 benzoic acid, hexahydro-
 cyclohexane carboxylic acid
 cyclohexane-carboxylic acid
 cyclohexanecarboxylic acid
 cyclohexanoic acid
 cyclohexyl formic acid
 cyclohexyl methanoic acid
 cyclohexylcarboxylic acid
 cyclohexylformic acid
 cyclohexylmethanoic acid
 hexahydrobenzoic acid
 
 
Notes:
Flavouring ingredient
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