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cyclohexanone diethyl acetal

Chemical Structure

General Material Information

Preferred name cyclohexanone diethyl acetal
Trivial Name 1,1-Diethoxycyclohexane
Short Description rhumacetal
Formula C10 H20 O2
CAS Number 1670-47-9
FEMA Number 4516
ECHA Number 216-798-0
FDA UNII 84QSY8U161
Nikkaji Number J147.408A
MDL MFCD00037723
xLogP3-AA 2.40 (est)
NMR Predictor External link
JECFA Food Flavoring 2051 cyclohexanone diethyl ketal
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 1670-47-9 ; CYCLOHEXANONE DIETHYL KETAL
Synonyms
  • cyclohexane, 1,1-diethoxy-
  • cyclohexane,1,1-diethoxy-
  • cyclohexanondiethylacetal
  • cyclohexanone diethyl ketal
  • cyclohexanone, diethyl acetal
  • 1,1-diethoxycyclohexane
  • rhum acetal
  • rhumacetal
  • rum acetal
  • 1,1-Diethoxycyclohexane

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

Google Scholar Start search
Google Books Start search
Google Patents Start search
Perfumer & Flavorists Start search
EU Patents Start search
PubMeb Start search
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
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2911.00.5000
ChemSpider:View
FAO:Cyclohexanone diethyl ketal

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 172.26780700684
Specific gravity @ 25 °C
Pounds per Gallon 7.589 to 7.622
Refractive Index 1.434 to 1.438 @ 20 °C
Boiling Point 205 to 206°C @ 760 mm Hg
Boiling Point 76 to 78°C @ 20 mm Hg
Vapor Pressure 0.341 mmHg @ 25 °C
Flash Point TCC Value 60 °C TCC
logP (o/w) 2.422 est
Solubility
alcohol Yes
water, 39.61 mg/L @ 25 °C (est) Yes
water No
Stability
alkalis Unspecified

Organoleptic Properties

Odor Type: Fruity
fruity, rummy, tobacco, woody
General comment At 1.00 % in dipropylene glycol. fruity liquor rum tobacco woody

Potential Uses

Applications
Odor purposes Fruit, Saffron, Tobacco, Woody
Cosmetic purposes Perfuming agents

Safety Information

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 - 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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

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 cyclohexanone diethyl acetal usage levels up to:
2.0000 % in the fragrance concentrate.
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: 24
Click here to view publication 24
average usual ppmaverage maximum ppm
baked goods: 5.0000030.00000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: 0.500003.00000
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 0.500002.00000
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 0.500002.00000
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: 2.0000030.00000
soft candy: 0.100001.00000
soups: --
sugar substitutes: --
sweet sauces: --

Safety references

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):1670-47-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :74279
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1993
WGK Germany:2
1,1-diethoxycyclohexane
Chemidplus:0001670479