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citral diethyl acetal

Chemical Structure

General Material Information

Preferred name citral diethyl acetal
Trivial Name Citral diethyl acetal
Short Description 1,1-diethoxy-3,7-dimethyl-2,6-octadiene
Formula C14 H26 O2
CAS Number 7492-66-2
FEMA Number 2304
Flavis Number 6.004
ECHA Number 231-323-7
FDA UNII R155R4727D
MDL MFCD00036575
COE Number 38
xLogP3-AA 4.20 (est)
NMR Predictor External link
JECFA Food Flavoring 948 citral diethyl acetal
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 7492-66-2 ; CITRAL DIETHYL ACETAL
Synonyms
  • citral diethylacetal
  • citral-diethylacetal 'R'
  • citrathal (Givaudan)
  • citrathal conc. tw (Quest)
  • citrathal s tw (Quest)
  • citrathal tech (Givaudan)
  • citronica
  • 1,1-diethoxy-3,7-dimethyl-2,6-octadiene
  • 1,1-diethoxy-3,7-dimethylocta-2,6-diene
  • 3,7-dimethyl-2,6-octadienal diethyl acetal
  • 2,6-octadiene, 1,1-diethoxy-3,7-dimethyl-
  • 1,1-diethoxy-3,7-dimethylocta-2,6-diene
  • 2,6-Octadiene, 1,1-diethoxy-3,7-dimethyl-
  • 2,6-Octadienal, 3,7-dimethyl-, diethyl acetal
  • 1,1-Diethoxy-3,7-dimethyl-2,6-octadiene
  • Citrathal R

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):HMDB40228
FooDB:FDB019942
Export Tariff Code:2911.00.5000
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 226.35961914062
Specific gravity @ 25 °C
Pounds per Gallon 7.189 to 7.314
Refractive Index 1.445 to 1.455 @ 20 °C
Boiling Point 140 to 142°C @ 15 mm Hg
Acid Value 2 max KOH/g
Vapor Pressure 0.005 mmHg @ 25 °C
Flash Point TCC Value 78.89 °C TCC
logP (o/w) 4.585 est
Solubility
alcohol Yes
dipropylene glycol Yes
triethyl citrate Yes
water, 2.454 mg/L @ 25 °C (est) Yes
water No
Stability
alkalis Unspecified
bath foam Unspecified
fabric softener Unspecified
houshold cleaner Unspecified
soap Unspecified

Organoleptic Properties

Odor Type: Citrus
green, fresh, citrus, lemon peel, waxy, sweet, floral
Odor strength medium
Substantivity 32 hour(s) at 100.00 %
Luebke, William tgsc, (1987) At 100.00 %. green fresh citrus lemon peel waxy
Mosciano, Gerard P&F 17, No. 5, 127, (1992) Sweet citrus, green, floral, waxy, lemon peel
Flavor Type: Citrus
green, citrus, lemon, waxy
Mosciano, Gerard P&F 17, No. 5, 127, (1992) At 10.00 ppm. Green, citrus lemon with a waxy nuance

Safety Information

Safety information

Preferred SDS: View
Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
Flammable liquids (Category 4), H227
GHS Label elements, including precautionary statements
Pictogramexclamation-mark.jpg
Signal word Warning
Hazard statement(s)
H227 - Combustible liquid
Precautionary statement(s)
P210 - Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P264 - Wash skin thouroughly after handling.
P280 - Wear protective gloves/protective clothing/eye protection/face protection.
P370 + P378 - In case of fire: Use dry sand, dry chemical or alcohol-resistant foam for extinction.
P403 + P235 - Store in a well-ventilated place. Keep cool.
P501 - Dispose of contents/ container to an approved waste disposal plant.
Human Experience:
4 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
oral-rat LD50 > 5000 mg/kg
Food and Chemical Toxicology. Vol. 21, Pg. 677, 1983.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Chemical Toxicology. Vol. 21, Pg. 677, 1983.

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 citral diethyl acetal usage levels up to:
5.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 3.40 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.00 (μg/capita/day)
Threshold of Concern:1800 (μg/person/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: --
beverages(nonalcoholic): -0.03000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: -110.00000
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -0.13000
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 3 (FGE.03); Acetals of branched- and straight-chain aliphatic saturated primary alcohols and branched- and straight-chain saturated aldehydes, and a orthoester of formic acid, from chemical groups 1 and 2 (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf

Flavouring Group Evaluation 3, Revision 1 (FGE.03Rev1): Acetals of branched- and straight-chain aliphatic saturated primary alcohols and branched- and straight-chain saturated or unsaturated aldehydes, an ester of a hemiacetal and an orthoester of formic acid, from chemical groups 1, 2 & 4 Commission Regulation (EC) No 1565/2000 of 18 July 2000) [1] - Scientific Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)on a request from the Commission
View page or View pdf

Flavouring Group Evaluation 61, Revision 1 (FGE.61Rev1): Consideration of aliphatic acetals evaluated by JECFA (57th meeting) structurally related to acetals of branched- and straight-chain aliphatic saturated primary alcohols and branched- and straight-chain saturated aldehydes and one orthoester of formic acid evaluated
View page or View pdf

Flavouring Group Evaluation 202: 3-Alkylated aliphatic acyclic alpha,beta-unsaturated aldehydes and precursors with or without additional double bonds from chemical subgroup 1.1.3 of FGE.19[1]
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 3, Revision 2 (FGE.03Rev2): Acetals of branched- and straight-chain aliphatic saturated primary alcohols and branched- and straight-chain saturated or unsaturated aldehydes, an ester of a hemiacetal and an orthoester of formic acid, from chemical groups 1, 2 and 4
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 61 Revision 2 (FGE.61Rev2): consideration of aliphatic acetals evaluated by JECFA (57th, 63rd and 68th meetings) structurally related to acetals evaluated by EFSA in FGE.03Rev2
View page or View pdf

EPI System: View
Chemical Carcinogenesis Research Information System:Search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):7492-66-2
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :24113
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
1,1-diethoxy-3,7-dimethylocta-2,6-diene
Chemidplus:0007492662
EPA/NOAA CAMEO:hazardous materials
RTECS:RG5080000 for cas# 7492-66-2