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cyclohexyl acetate

Chemical Structure

General Material Information

Preferred name cyclohexyl acetate
Trivial Name Cyclohexyl acetate
Short Description acetic acid, cyclohexyl ester
Formula C8 H14 O2
CAS Number 622-45-7
FEMA Number 2349
Flavis Number 9.027
ECHA Number 210-736-6
FDA UNII UL0RS4H1UE
Nikkaji Number J2.088E
Beilstein Number 1906543
MDL MFCD00003850
COE Number 217
xLogP3-AA 1.90 (est)
NMR Predictor External link
JECFA Food Flavoring 1093 cyclohexyl acetate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 622-45-7 ; CYCLOHEXYL ACETATE
Synonyms
  • acetic acid cyclohexyl ester
  • acetic acid, cyclohexyl ester
  • adronal acetate
  • cyclo hexyl acetate
  • cyclohexane acetate
  • cyclohexanol acetate
  • cyclohexanyl acetate
  • cyclohexyl acetate FCC
  • cyclohexyl-acetate
  • hexalin acetate
  • Cyclohexanol, acetate
  • NSC 8772
  • Acetoxycyclohexane
  • Acetic acid cyclohexanyl ester
  • Rhodiasolv AC 6
  • Celtol CHXA

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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Perfumer & Flavorists Start search
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NCBI Start search

Other Information

(IUPAC):Atomic Weights of the Elements 2011 (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
KEGG (GenomeNet):C12297
HMDB (The Human Metabolome Database):HMDB31352
FooDB:FDB003417
Export Tariff Code:2915.39.9050
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 142.19798278809
Specific gravity @ 25 °C
Pounds per Gallon 8.08 to 8.138
Refractive Index 1.436 to 1.443 @ 20 °C
Boiling Point 175 to 177°C @ 760 mm Hg
Boiling Point 61 to 62°C @ 12 mm Hg
Acid Value 1 max KOH/g
Vapor Pressure 1.295 mmHg @ 25 °C
Flash Point TCC Value 57.78 °C TCC
logP (o/w) 2.64
Solubility
alcohol Yes
water, 453.8 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Fruity
fruity, sweet, musty, ethereal, solvent, banana, apple
Odor strength medium
Substantivity 4 hour(s) at 100.00 %
Luebke, William tgsc, (1989) At 100.00 %. fruity sweet musty ethereal
Mosciano, Gerard P&F 15, No. 1, 19, (1990) Solvent-like and fruity sweet with banana and apple nuances
Flavor Type: Solvent
solvent, cooling, sweet, banana, apple
Mosciano, Gerard P&F 15, No. 1, 19, (1990) At 30.00 ppm. Solventy and slightly cooling with sweet banana and apple notes

Occurrences

Potential Uses

Applications
Odor purposes Apple, Banana, Blackberry, Raspberry, Saffron
Cosmetic purposes Perfuming agents

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 38 - Irritating to skin.
S 02 - Keep out of the reach of children.
S 24 - Avoid contact with skin.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 28 - After contact with skin, wash immediately with plenty of water.
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.
Human Experience:
4 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
oral-rat LD50 6730 ul/kg
Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974.

Dermal Toxicity:
skin-rabbit LD50 10 ml/kg
Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974.

subcutaneous-cat LDLo 800 mg/kg
Archiv fuer Hygiene. Vol. 78, Pg. 260, 1913.

Inhalation Toxicity:
inhalation-human TCLo 3000 mg/m3/45M
LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE
Archiv fuer Hygiene. Vol. 78, Pg. 260, 1913.

Safety in use information

Category:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for cyclohexyl acetate usage levels up to:
5.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 12.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 10.00 (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: 3
Click here to view publication 3
average usual ppmaverage maximum ppm
baked goods: -110.00000
beverages(nonalcoholic): -20.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -15.00000
fruit ices: -15.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -100.00000
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: --

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):

Flavouring Group Evaluation 51, (FGE.51)[1] - Consideration of alicyclic ketones and secondary alcohols and related esters evaluated by JECFA (59th meeting) and structurally related to alicyclic ketones, secondary alcohols and related esters evaluated by EFSA in FGE.09 (2004) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf

Flavouring Group Evaluation 9, Revision 1: (FGE.09 Rev1)[1] - Secondary alicyclic saturated and unsaturated alcohols, ketones and esters containing secondary alicyclic alcohols from chemical groups 8 and 30, and an ester of a phenol carboxylic acid from chemical group 25 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf

Flavouring Group Evaluation 9, Revision 2 (FGE.09Rev2): Secondary alicyclic saturated and unsaturated alcohols, ketones and esters containing secondary alicyclic alcohols from chemical group 8 and 30, and an ester of a phenol derivative from chemical group 25
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 51, Revision 1 (FGE.51Rev1): Consideration of alicyclic ketones and secondary alcohols and related esters evaluated by the JECFA (59th meeting) structurally related to alicyclic ketones secondary alcohols and related esters in FGE.09Rev3 (2011)
View page or View pdf

Flavouring Group Evaluation 51, Revision 2 (FGE.51Rev2): Consideration of alicyclic ketones and secondary alcohols and related esters evaluated by JECFA (59th meeting) structurally related to alicyclic ketones secondary alcohols and related esters in FGE.09Rev6 (2015)
View page or View pdf

Safety and efficacy of secondary alicyclic saturated and unsaturated alcohols, ketones, ketals and esters with ketals containing alicyclic alcohols or ketones and esters containing secondary alicyclic alcohols from chemical group 8 when used as flavourings for all animal species
View page or View pdf

EPI System: View
NIOSH International Chemical Safety Cards:search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):622-45-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :12146
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 2243
WGK Germany:1
cyclohexyl acetate
Chemidplus:0000622457
EPA/NOAA CAMEO:hazardous materials
RTECS:622-45-7