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hydroxycitronellal diethyl acetal

Chemical Structure

General Material Information

Preferred name hydroxycitronellal diethyl acetal
Trivial Name Hydroxycitronellal diethyl acetal
Short Description 1,1-diethoxy-3,7-dimethyloctan-7-ol
Formula C14 H30 O2
CAS Number 7779-94-4
FEMA Number 2584
Flavis Number 6.01
ECHA Number 231-945-9
FDA UNII F82P1A3CIM
Nikkaji Number J97.894I
COE Number 44
xLogP3-AA 3.20 (est)
NMR Predictor External link
JECFA Food Flavoring 613 hydroxycitronellal diethyl acetal
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 7779-94-4 ; HYDROXYCITRONELLAL DIETHYL ACETAL
Synonyms
  • 8,8-diethoxy-2,6-dimethyl octan-2-ol
  • 8,8-diethoxy-2,6-dimethyl-2-octanol
  • 8,8-diethoxy-2,6-dimethyloctan-2-ol
  • 1,1-diethoxy-3,7-dimethyl-7-octanol
  • 1,1-diethoxy-3,7-dimethyloctan-7-ol
  • hydroxy citronellal diethyl acetal
  • 7-hydroxy-3,7-dimethyl octanal diethyl acetal
  • 7-hydroxy-3,7-dimethyloctanal diethyl acetal
  • hydroxycitronellal diethylacetal
  • hydroxycitronellal, diethyl acetal
  • octan-2-ol, 8,8-diethoxy-2,6-dimethyl-
  • octanal, 7-hydroxy-3,7-dimethyl-, diethyl acetal
  • 2-octanol, 8,8-diethoxy-2,6-dimethyl-
  • 8,8-diethoxy-2,6-dimethyloctan-2-ol
  • 2-Octanol, 8,8-diethoxy-2,6-dimethyl-
  • 8,8-Diethoxy-2,6-dimethyl-2-octanol

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

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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):HMDB34557
FooDB:FDB013069
Export Tariff Code:2911.00.5000
ChemSpider:View
FAO:Hydroxycitronellal diethyl acetal

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 230.39149475098
Specific gravity @ 25 °C
Pounds per Gallon 7.472 to 7.555
Refractive Index 1.435 to 1.442 @ 20 °C
Vapor Pressure 4.3E-5 mmHg @ 25 °C
Flash Point TCC Value 110 °C TCC
logP (o/w) 2.781 est
Solubility
alcohol Yes
oils Yes
water, 84.78 mg/L @ 25 °C (est) Yes
water No
Stability
alkalis Unspecified

Organoleptic Properties

Odor Type: Floral
green, floral, lily, muguet
Odor strength low
General comment At 100.00 %. delicate green floral lily muguet
Flavor Type: Melon
melon, green
General comment Melon
Can be used in melon type flavors. Slight melon notes

Potential Uses

Applications
Odor purposes Floral, Lily of the valley

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
None - None found.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
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 hydroxycitronellal diethyl acetal usage levels up to:
10.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day)
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: -2.20000
beverages(nonalcoholic): -2.70000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 5.000001.00000
fruit ices: 5.000001.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -7.30000
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) on a request from the Commission related to - Flavouring Group Evaluation 10: Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 - (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf

Flavouring Group Evaluation 10, Revision 1 (FGE10 Rev1)[1] - Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food (AFC)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 10, Revision 2 (FGE.10Rev2): Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):7779-94-4
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :5463911
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
8,8-diethoxy-2,6-dimethyloctan-2-ol
Chemidplus:0007779944