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acetaldehyde dimethyl acetal

Chemical Structure

General Material Information

Preferred name acetaldehyde dimethyl acetal
Trivial Name Dimethyl acetal
Short Description ethane, 1,1-dimethoxy-
Formula C4 H10 O2
CAS Number 534-15-6
FEMA Number 3426
Flavis Number 6.015
ECHA Number 208-589-8
FDA UNII ZO2AW8UR5T
Nikkaji Number J6.336C
Beilstein Number 1697039
MDL MFCD00008493
COE Number 510
xLogP3-AA 0.50 (est)
NMR Predictor External link
JECFA Food Flavoring 940 1,1-dimethoxyethane
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 534-15-6 ; 1,1-DIMETHOXYETHANE
Synonyms
  • acetaldehyde di methyl acetal
  • acetaldehyde diethyl acetal natural
  • acetaldehyde dimethylacetal
  • acetaldehyde methyl acetal
  • acetaldehyde methylacetal
  • dimethoxy ethane
  • 1,1-dimethoxy-ethane
  • 1,1-dimethoxyethane
  • dimethyl acetal
  • dimethyl aldehyde
  • dimethylacetal
  • ethane, 1,1-dimethoxy-
  • ethylidene dimethyl ether
  • 3-methyl-2,4-dioxapentane
  • 1,1-dimethoxyethane
  • Acetaldehyde, dimethyl acetal
  • 3-Methyl-2,4-dioxapentane

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):HMDB30061
FooDB:FDB001369
Export Tariff Code:2911.00.5000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
Formulations/Preparations:
as mering's mixture which is 2 vol dimethylacetal and 1 vol chloroform

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 90.122100830078
Specific gravity @ 20 °C
Pounds per Gallon 7.089 to 7.106
Specific gravity @ 25 °C
Pounds per Gallon 7.073 to 7.156
Refractive Index 1.365 to 1.367 @ 20 °C
Boiling Point 64 to 65°C @ 760 mm Hg
Vapor Pressure 171 mmHg @ 25 °C
Vapor Density 3.1
Flash Point TCC Value -17.22 °C TCC
logP (o/w) 0.082 est
Solubility
alcohol Yes
water, 8.027e+004 mg/L @ 25 °C (est) Yes
water, 1.00E+06 mg/L @ 25 °C (exp) Yes
Stability
alkalis Unspecified

Organoleptic Properties

Odor Type: Ethereal
sharp, sweet, alcoholic, ethereal, green, hay new mown hay
Odor strength high , recommend smelling in a 1.00 % solution or less
Substantivity < 1 hour(s) at 100.00 %
Luebke, William tgsc, (1985) At 1.00 % in propylene glycol. sharp sweet alcohol ether green new mown hay
Flavor Type: Ethereal
sharp, ethereal, alcoholic, fruity, green, privet
Luebke, William tgsc, (1985) Sharp ethereal alcoholic fruity green privet
1,1-DIMETHOXYETHANE adds freshness, juicy, fruity and green character to citrus, lychee, pomegranate and other fruit flavors. Sharp ethereal, fruity and green notes
General comment Sharp ethereal fruity green

Occurrences

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
F - Highly flammable.
R 12 - Extremely flammable.
S 02 - Keep out of the reach of children.
S 09 - Keep container in a well-ventilated place.
S 16 - Keep away from sources of ignition - No Smoking.
S 33 - Take precautionary measures against static discharge.
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:
oral-rabbit LD50 4507 mg/kg
Proceedings of the Society for Experimental Biology and Medicine. Vol. 29, Pg. 730, 1932.

oral-rat LD50 6500 mg/kg
Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 60, 1949.

Dermal Toxicity:
skin-rabbit LD50 20000 mg/kg
Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 60, 1949.

Inhalation Toxicity:
inhalation-rat LC50 3000 ppm/4H
BEHAVIORAL: GENERAL ANESTHETIC
AMA Archives of Industrial Health. Vol. 12, Pg. 623, 1955.

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 acetaldehyde dimethyl acetal usage levels up to:
3.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 61.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 11.00 (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: 8
Click here to view publication 8
average usual ppmaverage maximum ppm
baked goods: -6.00000
beverages(nonalcoholic): -3.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: -6.00000
egg products: --
fats / oils: --
fish products: --
frozen dairy: -3.00000
fruit ices: -3.00000
gelatins / puddings: -3.00000
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: -3.00000
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 (FGE.61): Consideration of aliphatic acyclic 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 an orthoester of formic acid evaluated by EFSA in FGE.03 (2004) (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
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

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
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):534-15-6
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :10795
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 2377
WGK Germany:2
1,1-dimethoxyethane
Chemidplus:0000534156
EPA/NOAA CAMEO:hazardous materials
RTECS:AB2825000 for cas# 534-15-6