cyclohexyl acetic acid
cyclohexaneacetic acid
 
Notes:
Flavouring ingredient
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      03-76500 CYCLOHEXANEACETIC ACID
       
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      Product(s):
      W034 Cyclohexyl Acetic Acid
       
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      Product(s):
      C0589 Cyclohexylacetic Acid >98.0%(GC)(T)
       
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      Product(s):
      Cyclohexaneacetic acid
       
Synonyms   Articles   Notes   Search
CAS Number: 5292-21-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 226-132-0
FDA UNII: V43K3TO0HN
Nikkaji Web: J48.532B
Beilstein Number: 2041326
MDL: MFCD00001518
CoE Number: 34
XlogP3-AA: 2.50 (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: 965  cyclohexaneacetic acid
FLAVIS Number: 08.034 (Old)
DG SANTE Food Flavourings: 08.034  cyclohexylacetic acid
FEMA Number: 2347  cyclohexaneacetic acid
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):5292-21-7 ; CYCLOHEXANEACETIC ACID
FDA Regulation:
FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION
Subpart F--Flavoring Agents and Related Substances
Sec. 172.515 Synthetic flavoring substances and adjuvants.
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Physical Properties:
Appearance: colorless crystals (est)
Assay: 98.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 1.00100 to 1.00900 @  25.00 °C.
Pounds per Gallon - (est).: 8.329 to  8.396
Refractive Index: 1.45900 to 1.46700 @  20.00 °C.
Melting Point: 28.00 to  33.00 °C. @ 760.00 mm Hg
Boiling Point: 242.00 to  243.00 °C. @ 760.00 mm Hg
Boiling Point: 116.00 to  117.00 °C. @ 4.00 mm Hg
Vapor Pressure: 0.029000 mmHg @ 25.00 °C.
Flash Point: 230.00 °F. TCC ( 110.00 °C. )
logP (o/w): 2.850
Soluble in:
 alcohol
 water, 753.2 mg/L @ 25 °C (est)
 water, 2880 mg/L @ 25 °C (exp)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: acidic
 
Odor Strength: medium
 
 sharp  acetic  fatty  cheesy  musty  powdery  honey  caramellic  
Odor Description:
sharp acetic fatty cheese musty powdery honey caramel
 
 sharp  acidic  fatty  cheesy  musty  powdery  honey  caramellic  
Odor Description:
Sharp acidic, fatty cheesy, musty, powdery, honey and caramellic
Mosciano, Gerard P&F 14, No. 6, 47, (1989)
 
 
Flavor Type: sweet
 
 honey  caramellic  maple  cocoa  
Taste Description:
at 100.00 ppm.  
Honey, caramallic, maple and cocoa
Mosciano, Gerard P&F 14, No. 6, 47, (1989)
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
BOC Sciences
For experimental / research use only.
Cyclohexylacetic Acid 99%
Penta International
CYCLOHEXANEACETIC ACID
Santa Cruz Biotechnology
For experimental / research use only.
Cyclohexaneacetic Acid
Sigma-Aldrich
Cyclohexaneacetic acid ≥98%
Certified Food Grade Products
Synerzine
Cyclohexyl Acetic Acid
TCI AMERICA
For experimental / research use only.
Cyclohexylacetic Acid >98.0%(GC)(T)
WholeChem
Cyclohexaneacetic acid
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Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
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:
intravenous-mouse LD50  178 mg/kg
U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00770

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: flavor and fragrance agents
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.12 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.40 (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: 3
Click here to view publication 3
 average usual ppmaverage maximum ppm
baked goods: -2.00000
beverages(nonalcoholic): -1.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -2.00000
fruit ices: -2.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -2.00000
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: --
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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
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 Substance Registry Services (TSCA): 5292-21-7
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 21363
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 3
 2-cyclohexylacetic acid
Chemidplus: 0005292217
RTECS: GU6490000 for cas# 5292-21-7
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References:
 2-cyclohexylacetic acid
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 5292-21-7
Pubchem (cid): 21363
Pubchem (sid): 134985135
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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
CHEBI: View
HMDB (The Human Metabolome Database): HMDB31403
FooDB: FDB003477
Export Tariff Code: 2916.35.1500
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
acidic
acidic
isobutyric acidFL/FR
2-methyl butyric acidFL/FR
balsamic
isobutyl benzoateFL/FR
berry
 raspberry ketone methyl etherFL/FR
buttery
 acetyl propionylFL/FR
 butter oil CO2 extractFL/FR
 butyl butyryl lactateFL/FR
2,3-heptane dioneFL/FR
 caramel pentadioneFL/FR
 cycloteneFL/FR
 cyclotene hydrateFL/FR
 ethyl cyclopentenoloneFL/FR
 fenugreek absoluteFL/FR
 fenugreek oleoresinFL/FR
 geranyl crotonateFR
 maple furanoneFL/FR
 menthone lactoneFL/FR
5-methyl furfuralFL/FR
 shoyu furanoneFL/FR
cheesy
 butyric acidFL/FR
2-methyl hexanoic acidFL/FR
S-(methyl thio) butyrateFL/FR
2-methyl valeric acidFL/FR
2-methyl-2-hexenoic acidFR
chocolate
 cocoa pentenalFL/FR
 hexanoic acidFL/FR
 octanoic acidFL/FR
floral
 cyclamen aldehydeFL/FR
 geranyl phenyl acetateFL/FR
beta-naphthyl methyl ketoneFL/FR
 rhodinyl phenyl acetateFL/FR
fruity
 benzyl isovalerateFL/FR
 cyclohexyl carboxylic acidFL/FR
 filbert hexenoneFL/FR
4-heptanoneFL/FR
 methyl 4-methyl valerateFL/FR
2-methyl butyl isovalerateFL/FR
 prenyl hexanoateFL/FR
 sorbyl butyrateFL/FR
green
3-heptanoneFL/FR
(E)-2-hexenalFL/FR
herbal
3-propylidene phthalideFL/FR
moldy
 strawberry furanone methyl etherFL/FR
musty
 cocoa butenalFL/FR
nutty
 nutty quinoxalineFL/FR
2,3,5-trimethyl pyrazineFL/FR
roasted
 fenugreek resinoidFL/FR
spicy
isoeugenyl phenyl acetateFL/FR
waxy
2-methyl heptanoic acidFL/FR
 nonanoic acidFL/FR
2-nonanolFL/FR
delta-tetradecalactoneFL/FR
 undecanoic acidFL/FR
 
For Flavor
 
No flavor group found for these
 ethyl cyclohexyl carboxylateFL
2,4-heptadien-1-olFL
(E,E)-2,4-heptadien-1-olFL
(Z)-3-hexenoic acidFL
 menthone lactoneFL/FR
5-methyl hexanoic acidFL
4-methyl valeric acidFL
 prenyl hexanoateFL/FR
acidic
isobutyric acidFL/FR
(E)-2-hexenoic acidFL
berry
 raspberry ketone methyl etherFL/FR
bitter
 glyceryl tributyrateFL
brown
 fenugreek oleoresinFL/FR
5-methyl furfuralFL/FR
buttery
 butter maple flavorFL
 butter oil CO2 extractFL/FR
2,3-heptane dioneFL/FR
2-methyl valeric acidFL/FR
(E)-2-pentenoic acidFL
caramellic
 caramel furanoneFL
 caramel pentadioneFL/FR
 cycloteneFL/FR
 cyclotene hydrateFL/FR
 fenugreek absoluteFL/FR
 fenugreek resinoidFL/FR
 honey maple flavorFL
 lucuma flavorFL
 maple furanoneFL/FR
 shoyu furanoneFL/FR
cheesy
 hexanoic acidFL/FR
cocoa
 gac fruit distillatesFL
creamy
 acetoin butyrateFL
 butyl butyryl lactateFL/FR
2-methyl-4-pentenoic acidFL
dairy
4-pentenoic acidFL
fatty
 nonanoic acidFL/FR
(E)-2-octenoic acidFL
fermented
 methyl thio isovalerateFL
floral
 cocoa pentenalFL/FR
 geranyl phenyl acetateFL/FR
beta-naphthyl methyl ketoneFL/FR
fruity
 benzyl isovalerateFL/FR
isobutyl benzoateFL/FR
 cyclohexyl carboxylic acidFL/FR
 filbert hexenoneFL/FR
4-heptanoneFL/FR
 methyl 4-methyl valerateFL/FR
2-methyl butyl isovalerateFL/FR
2-methyl butyric acidFL/FR
 sorbyl butyrateFL/FR
green
 cocoa butenalFL/FR
 cyclamen aldehydeFL/FR
(E)-2-hexenalFL/FR
3-propylidene phthalideFL/FR
jammy
 ethyl cyclopentenoloneFL/FR
ketonic
3-heptanoneFL/FR
malty
 malt distillatesFL
meaty
maple bacon flavorFL
2-methyl 3-(methyl thio) furanFL
moldy
 strawberry furanone methyl etherFL/FR
musty
S-(methyl thio) butyrateFL/FR
2,3,5-trimethyl pyrazineFL/FR
nutty
 nutty quinoxalineFL/FR
oily
2-methyl hexanoic acidFL/FR
soapy
 octanoic acidFL/FR
sour
 butyric acidFL/FR
2,4-dimethyl-2-pentenoic acidFL
3-methyl valeric acidFL
spicy
isoeugenyl phenyl acetateFL/FR
sulfurous
 methyl 4-(methyl thio) butyrateFL
sweet
 caramel dioneFL
toasted
 acetyl propionylFL/FR
waxy
2-methyl heptanoic acidFL/FR
2-nonanolFL/FR
 rhodinyl phenyl acetateFL/FR
delta-tetradecalactoneFL/FR
 undecanoic acidFL/FR
 
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Potential Uses:
 caramelFL
 chocolate cocoaFL
 coffeeFL
 honeyFL
 mapleFL
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
 cyclohexane acetic acid
 cyclohexane-acetic acid
 cyclohexaneacetic acid
 cyclohexyl ethanoic acid
 cyclohexylacetic acid
2-cyclohexylacetic acid
 cyclohexylaceticacid
 cyclohexylethanoic acid
 hexahydrophenyl acetic acid
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