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acetal

Chemical Structure

General Material Information

Preferred name acetal
Trivial Name Diethyl acetal
Short Description acetaldehyde diethyl acetal
Formula C6 H14 O2
CAS Number 105-57-7
FEMA Number 2002
Flavis Number 6.001
ECHA Number 203-310-6
FDA UNII 5G14F9E2HB
Nikkaji Number J5.044J
Beilstein Number 1098310
MDL MFCD00009243
COE Number 35
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 941 acetal
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 105-57-7 ; ACETAL
Synonyms
  • 1,1-diethoxy-ethane
  • 1,1-diethoxyethane
  • acetal (1,1-diethoxyethane)
  • acetal (acetaldehyde diethyl acetal)
  • acetal (natural)
  • acetal 30-35% in ETOH natural
  • acetal natural
  • acetaldehyde diethyl acetal
  • acetaldehyde diethylacetal
  • acetaldehyde ethyl acetal
  • Acetol
  • diethyl acetal
  • diethylacetal
  • dithane, 1,1-diethoxy-
  • ethane, 1,1-diethoxy-
  • ethylidenediethyl ether
  • ethylidine diethyl ether
  • Acetaldehyde, diethyl acetal
  • Ethylidene diethyl ether
  • Ethanal diethyl acetal
  • NSC 7624

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

Google Scholar Start search
Google Books Start search
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Perfumer & Flavorists Start search
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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
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB31644
FooDB:FDB008296
Export Tariff Code:2911.00.5000
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 118.17597961426
Specific gravity 0.822 - 0.831 @ 25 °C
Pounds per Gallon 6.84 to 6.915
Refractive Index 1.378 to 1.386 @ 20 °C
Boiling Point 102 to 104°C @ 760 mm HG
Boiling Point 32 to 33°C @ 50 mm HG
Vapor Pressure 27.6 mm HG @ 25 °C
Acid Value 1 max koh_g
Vapor Density 4.1
Flash Point TCC Value -20.56 °C TCC
logP (o/w) 0.84
Shelf life 12 months (or longer if stored properly.)
Storage notes Store in cool, dry place in tightly sealed containers, protected from heat and light.
Solubility
alcohol Yes
aliphatic alcohols Yes
ethyl ether Yes
water, 1.954e+004 mg/L @ 25 °C (est) Yes
water, 4.40E+04 mg/L @ 25 °C (exp) Yes

Organoleptic Properties

Odor Type: Ethereal
ethereal, green, nutty, earthy, sweet, vegetable
Odor strength high , recommend smelling in a 1.00 % solution or less
Substantivity < 1 hour(s) at 100.00 %
Luebke, William tgsc, (2017) At 1.00 % in propylene glycol. ether green nut earthy sweet vegetable
Flavor Type: Nutty
nutty, earthy, vegetable
Luebke, William tgsc, (2017) Nutty earthy vegetable
General comment Nutty
Fenaroli FFI Odor refreshing, pleasant, fruity-green

Occurrences

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 11 - Highly flammable.
R 36/38 - Irritating to skin and eyes.
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.
S 37/39 - Wear suitable gloves and eye/face protection.
Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
Skin irritation (Category 2), H315
Eye irritation (Category 2A), H319
GHS Label elements, including precautionary statements
Pictogramflame.jpgexclamation-mark.jpg
Signal word Danger
Hazard statement(s)
H225 - Highly Flammable liquid and vapour
H315 - Causes skin irritation
H319 - Causes serious eye irritation
Precautionary statement(s)
P210 - Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P233 - Keep container tightly closed.
P240 - Ground/bond container and receiving equipment.
P241 - Use explosion-proof electrical/ventilating/lighting/…/equipment.
P242 - Use only non-sparking tools.
P243 - Take precautionary measures against static discharge.
P264 - Wash skin thouroughly after handling.
P280 - Wear protective gloves/protective clothing/eye protection/face protection.
P303 + P361 + P353 - IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P305 + P351 + P338 - IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P332 + P313 - IF SKIN irritation occurs: Get medical advice/attention.
P337 + P313 - IF eye irritation persists: Get medical advice/attention.
P362 - Take off contaminated clothing and wash before reuse.
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.
Oral/Parenteral Toxicity:
oral-rat LD50 4600 mg/kg
Medizin und Ernaehrung. Vol. 8, Pg. 244, 1967.

intraperitoneal-rat LD50 900 mg/kg
"Industrial Hygiene and Toxicology," 2nd ed., Patty, F.A., ed., New York, John Wiley & Sons, Inc., 1958-63Vol. 2, Pg. 1982, 1963.

oral-rabbit LD50 3545 mg/kg
Proceedings of the Society for Experimental Biology and Medicine. Vol. 29, Pg. 730, 1932.

oral-mouse LD50 3500 mg/kg
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 42(3), Pg. 12, 1977.

intraperitoneal-mouse LD50 500 mg/kg
National Technical Information Service. Vol. AD277-689

Dermal Toxicity:
Not determined
Inhalation Toxicity:
inhalation-rat LCLo 4000 ppm/4H
Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 343, 1949.

Safety in use information

Category:
flavoring agents and cosmetic 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 acetal usage levels up to:
0.1000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 200.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 640.00 (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. Update in publication number(s): 29
Click here to view publication 3
average usual ppmaverage maximum ppm
baked goods: 65.00000120.00000
beverages(nonalcoholic): 5.0000011.00000
beverages(alcoholic): 109.00000154.00000
breakfast cereal: --
cheese: --
chewing gum: 155.00000155.00000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: 2.000003.00000
fish products: --
frozen dairy: 36.0000073.00000
fruit ices: --
gelatins / puddings: 36.0000067.00000
granulated sugar: --
gravies: --
hard candy: 4.0000039.00000
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: 33.0000056.00000
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 the safety and efficacy of straight-chain primary aliphatic alcohols/aldehydes/acids, acetals and esters with esters containing saturated alcohols and acetals containing saturated aldehydes (chemical group 1) when used as flavourings for all animal species
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
NIOSH International Chemical Safety Cards:search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):105-57-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :7765
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1088
WGK Germany:2
1,1-diethoxyethane
Chemidplus:0000105577
EPA/NOAA CAMEO:hazardous materials
RTECS:105-57-7