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acetaldehyde dipropyl acetal

Chemical Structure

General Material Information

Preferred name acetaldehyde dipropyl acetal
Trivial Name 1,1′-[Ethylidenebis(oxy)]bis[propane]
Short Description 1,1-dipropoxyethane
Formula C8 H18 O2
CAS Number 105-82-8
FEMA Number 4688
Flavis Number 6.034
ECHA Number 203-335-2
FDA UNII 277L28816Q
Nikkaji Number J97.282G
Beilstein Number 1697928
COE Number 2342
xLogP3-AA 2.20 (est)
NMR Predictor External link
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 105-82-8 ; 1,1-DIPROPOXYETHANE
Synonyms
  • acetaldehyde di-N-propyl acetal
  • 1,1-dipropoxyethane
  • dipropyl acetal
  • 1,1'-( ethylidene bis(oxy)) bispropane
  • propane, 1,1'-[ethylidenebis(oxy)]bis-
  • 1-(1-propoxyethoxy)propane
  • propyl acetal
  • 1-(1-propoxyethoxy)propane
  • Propane, 1,1′-[ethylidenebis(oxy)]bis-
  • Acetaldehyde, dipropyl acetal
  • 1,1′-[Ethylidenebis(oxy)]bis[propane]
  • Ethane, 1,1-dipropoxy-
  • 1,1-Dipropoxyethane

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

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Literature & References

1-(1-propoxyethoxy)propane
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:105-82-8
Pubchem (cid):66929
Pubchem (sid):135024940
Publications by Google Patents
Bioactive compounds and methods of uses thereof
Publications by Leffingwell & Associates
Flavor Properties of FEMA GRAS List 25 flavor chemicals

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
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 146.22985839844
Specific gravity @ 25 °C
Pounds per Gallon 6.873 to 6.898
Refractive Index 1.397 to 1.4 @ 20 °C
Boiling Point 143 to 150°C @ 760 mm Hg
Vapor Pressure 5.844 mmHg @ 25 °C
Flash Point TCC Value 35 °C TCC
logP (o/w) 2.21
Solubility
alcohol Yes
dipropylene glycol Yes
water, 1068 mg/L @ 25 °C (est) Yes
water No
Stability
alkalis Unspecified

Organoleptic Properties

Odor Type: Green
fresh, green, chrysanthemum, leafy, herbal
Odor strength medium , recommend smelling in a 10.00 % solution or less
Substantivity 5 hour(s) at 100.00 %
Luebke, William tgsc, (1989) At 10.00 % in dipropylene glycol. fresh green chrysanthemum leafy herbal
Flavor Type: Green
green, leafy, vegetable, cortex, asparagus, radish
Luebke, William tgsc, (1989) Green leafy vegetable cortex asparagus radish

Occurrences

Potential Uses

Applications
Odor purposes Agrumen aldehyde, Ajowan, Alpine bouquet, Angelica, Arnica flower, Ash mountain ash berry, Basil oil replacer, Bay rum, Bayberry, Bayberry, Blue grass, Cajeput, Calamus oil replacer, Camphor tree bark, Caraway seed, Carrot seed, Celery, Chamomile, Chrysanthemum, Cilantro, Clary sage oil replacer, Cognac, Coriander, Country meadow, Cranberry, Cubeb, Currant bud absolute replacer, Cypress oil replacer, Deertongue absolute replacer, Dill weed, Elder flower, Eucalyptus oil replacer, Fennel, Fig, Flouve, Forest, Genet, Ginger white ginger, Gingergrass, Green, Heather, Herbal, Hollyberry, Hop, Hyssop, Ivy, Lavandin, Lavender, Lavender flower, Lavender spike lavender, Lovage root, Marigold, Marjoram, Melissa oil replacer, Myrtle oil replacer, Niaouli, Oregano, Orris, Parsley leaf, Pine forest, Reseda, Rosemary, Rue, Saffron, Saffron, Savin, Sherry, Spruce, Sweet grass, Tansy oil replacer, Tea green tea, Thyme oil white replacer, Valerian, Wine, Witch hazel, Woodruff, Wormwood oil replacer, Yerba mate, Yew
Flavoring purposes Ajowan, Angelica, Brandy apple brandy, Arrack, Butter rum, Cajeput, Camphor tree bark, Capsicum, Caraway seed, Carrot, Carrot seed, Chervil, Cilantro, Coriander, Cubeb, Currant bud absolute replacer, Dill weed, Gin, Hyssop, Lavender flower, Lavender spike lavender, Lovage root, Marigold, Marjoram, Parsley leaf, Rue, Rum butter, Saki, Savin, Tansy oil replacer, Tea, Tea black tea, Tea herbal tea, Tea lemon tea, Tequila, Tomato, Valerian, Vermouth, Whiskey, Yerba mate
Other purposes Leaf, Parsnip, Tea china
Cosmetic purposes Perfuming agents

Safety Information

Safety information

European information :
Most important hazard(s):
Xi - Irritant
R 10 - Flammable.
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
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 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)
None found.
GHS Label elements, including precautionary statements
Pictogram
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
oral-rat LD50 5000 mg/kg
(Opdyke, 1979e)

oral-rat LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 17, Pg. 897, 1979.

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 acetaldehyde dipropyl acetal usage levels up to:
6.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.71 (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: 25
Click here to view publication 25
average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): 24.0000050.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: --
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

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

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):105-82-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :66929
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
1-(1-propoxyethoxy)propane
Chemidplus:0000105828