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heptanal dimethyl acetal

Chemical Structure

General Material Information

Preferred name heptanal dimethyl acetal
Trivial Name 1,1-Dimethoxyheptane
Short Description 1,1-dimethoxyheptane
Formula C9 H20 O2
CAS Number 10032-05-0
FEMA Number 2541
Flavis Number 6.028
ECHA Number 233-103-6
FDA UNII RMC47KWZ4J
Nikkaji Number J129.300A
MDL MFCD00014908
COE Number 2015
xLogP3-AA 3.00 (est)
NMR Predictor External link
JECFA Food Flavoring 947 heptanal dimethyl acetal
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 10032-05-0 ; HEPTANAL DIMETHYL ACETAL
Synonyms
  • aldehyde C 7-dimethylacetal
  • aldehyde C-7 dimethyl acetal
  • 1,1-dimethoxy heptanoate
  • 1,1-dimethoxyheptane
  • 1,1-dimethoxyheptanoate
  • enanthal dimethyl acetal
  • heptaldehyde dimethyl acetal
  • heptanal dimethylacetal
  • heptanal, dimethyl acetal
  • heptane, 1,1-dimethoxy-
  • oenanthal dimethyl acetal
  • verteral
  • 1,1-Dimethoxyheptane

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

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Perfumer & Flavorists Start search
EU Patents Start search
PubMeb Start search
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):HMDB40432
FooDB:FDB020165
Export Tariff Code:2911.00.5000
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 160.25680541992
Specific gravity @ 25 °C
Pounds per Gallon 7.356 to 7.065
Refractive Index 1.409 to 1.415 @ 20 °C
Boiling Point 164 to 165°C @ 760 mm Hg
Acid Value 1 max KOH/g
Vapor Pressure 1.511 mmHg @ 25 °C
Flash Point TCC Value 68.33 °C TCC
logP (o/w) 2.55 est
Solubility
alcohol Yes
water, 352.3 mg/L @ 25 °C (est) Yes
water No
Stability
alkalis Unspecified

Organoleptic Properties

Odor Type: Green
green, privet, fruity, tropical, orange, oily, fatty, waxy
Odor strength medium , recommend smelling in a 10.00 % solution or less
Substantivity 8 hour(s) at 100.00 %
Luebke, William tgsc, (1991) At 100.00 %. green privet fruity tropical orange
Mosciano, Gerard P&F 15, No. 6, 35, (1990) Green, oily, fatty and waxy with a fruity nuance
Flavor Type: Green
dirty, green, waxy, fatty
Mosciano, Gerard P&F 15, No. 6, 35, (1990) At 20.00 ppm. Dirty green with waxy and fatty nuances
May add a natural effect to peach, berry, bell pepper, lime and lemon flavors. Green waxy

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xn - Harmful.
R 22 - Harmful if swallowed.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
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.
Human Experience:
8 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
oral-rat LD50 > 5000 mg/kg
May add a natural effect to peach, berry, bell pepper, lime and lemon flavors.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
May add a natural effect to peach, berry, bell pepper, lime and lemon flavors.

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 heptanal dimethyl acetal usage levels up to:
5.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.037 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.26 (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: -0.25000
beverages(nonalcoholic): 0.100000.13000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: -1.00000
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -0.25000
fruit ices: -0.25000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -0.25000
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):10032-05-0
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :61453
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1993
WGK Germany:2
1,1-dimethoxyheptane
Chemidplus:0010032050