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octanal dimethyl acetal

Chemical Structure

General Material Information

Preferred name octanal dimethyl acetal
Trivial Name 1,1-Dimethoxyoctane
Short Description resedyl acetal
Formula C10 H22 O2
CAS Number 10022-28-3
FEMA Number 2798
Flavis Number 6.008
ECHA Number 233-018-4
FDA UNII OD5I84ZHFV
Nikkaji Number J60.727D
MDL MFCD00036644
COE Number 42
xLogP3-AA 3.50 (est)
NMR Predictor External link
JECFA Food Flavoring 942 octanal dimethyl acetal
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 10022-28-3 ; OCTANAL DIMETHYL ACETAL
Synonyms
  • aldehyde C-8 dimethyl acetal
  • C-8 dimethyl acetal
  • C-8 dimethylacetal
  • 1,1-dimethoxyoctane
  • octacetal (IFF)
  • octaldehyde dimethyl acetal
  • N- octanal dimethyl acetal
  • octane, 1,1-dimethoxy-
  • resedyl acetal
  • Octanal, dimethyl acetal
  • 1,1-Dimethoxyoctane
  • n-Octylaldehyde dimethyl acetal
  • Resedylacetal

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

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Perfumer & Flavorists Start search
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NCBI Start search

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):HMDB40267
FooDB:FDB019985
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 174.28373718262
Specific gravity @ 25 °C
Pounds per Gallon 7.015 to 7.081
Specific gravity @ 20 °C
Pounds per Gallon 7.031 to 7.098
Refractive Index 1.414 to 1.418 @ 20 °C
Boiling Point 185 to 188°C @ 760 mm Hg
Acid Value 3 max KOH/g
Vapor Pressure 0.59 mmHg @ 25 °C
Vapor Density 1
Flash Point TCC Value 68.33 °C TCC
logP (o/w) 3.854
Shelf life 36 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
dipropylene glycol Yes
water, very slightly Yes
water, 115.3 mg/L @ 25 °C (est) Yes
Stability
alcoholic lotion Unspecified
alkalis Unspecified
antiperspirant Unspecified
bleach Unspecified
deo stick Unspecified
detergent perborate Unspecified
fabric softener Unspecified
hard surface cleaner Unspecified
liquid detergent Unspecified
shampoo Unspecified
soap Unspecified

Organoleptic Properties

Odor Type: Green
citrus, floral, green, leafy, rose, violet, ozone
Odor strength medium , recommend smelling in a 10.00 % solution or less
Substantivity 1 hour(s) at 100.00 %
Luebke, William tgsc, (1985) At 100.00 %. citrus floral green leafy rose violet
Flavor Type: Green
green, cilantro, nasturtium, citrus peel, privet
Luebke, William tgsc, (1985) Green cilantro nasturtium citrus peel privet
Widely used for intense green notes in many fruit and vegetable flavors; mostly lemon-lime and orange. Green peel
General comment Green citrus peel

Potential Uses

Applications
Odor purposes Aldehydic, Bergamot, Citrus, Floral, Fruit, Green, Herbal, Lemon, Lime, Mandarin, Orange, Tangerine
Other purposes Topnotes, Waxy
Cosmetic purposes Perfuming agents

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
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 36 - Wear suitable protective clothing.
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 octanal dimethyl acetal usage levels up to:
20.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.97 (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: -2.80000
beverages(nonalcoholic): -0.74000
beverages(alcoholic): -3.00000
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -0.78000
fruit ices: -0.78000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -2.80000
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 (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):10022-28-3
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :61431
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
1,1-dimethoxyoctane
Chemidplus:0010022283