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alpha-amyl cinnamaldehyde dimethyl acetal

General Material Information

Preferred name alpha-amyl cinnamaldehyde dimethyl acetal
Trivial Name 2-(dimethoxymethyl)hept-1-enylbenzene
Short Description alpha-pentylcinnamaldehyde dimethyl acetal
Formula C16 H24 O2
CAS Number 91-87-2
CAS Number 91-87-2 (E)
CAS Number 91-87-2 (Z)
FEMA Number 2062
Flavis Number 6.013
ECHA Number 202-104-3
FDA UNII M2X8F8W2U8
Nikkaji Number J182.082F
MDL MFCD00209498
COE Number 47
xLogP3-AA 4.90 (est)
NMR Predictor External link
JECFA Food Flavoring 681 alpha-amylcinnamaldehyde dimethyl acetal
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 91-87-2 ; ALPHA-AMYLCINNAMALDEHYDE DIMETHYL ACETAL
Synonyms
  • alpha-N- amyl cinnamal dimethyl acetal
  • 2-amyl cinnamaldehyde dimethyl acetate
  • amyl cinnamic aldehyde dimethyl acetal
  • alpha- amyl cinnamic aldehyde dimethyl acetal
  • alpha-N- amyl-beta-phenyl acrolein dimethyl acetal
  • a- amylcinnamaldehyde dimethyl acetal
  • alpha- amylcinnamaldehyde dimethyl acetal
  • a- amylcinnamic aldehyde dimethyl acetal
  • benzene, [2-(dimethoxymethyl)-1-hepten-1-yl]-
  • benzene,[2-(dimethoxymethyl)-1-heptenyl]-
  • 1,1-dimethoxy-2-amyl-3-phenyl-2-propene
  • 1,1-dimethoxy-2-benzylidene heptane
  • 1,1-dimethoxy-2-benzylideneheptane
  • (2-( dimethoxymethyl)-1-heptenyl) benzene
  • (2-( dimethoxymethyl)-1-heptenyl)benzene
  • [2-( dimethoxymethyl)-1-heptenyl]benzene
  • 2-( dimethoxymethyl)-1-phenyl-1-heptene
  • [2-( dimethoxymethyl)hept-1-en-1-yl]benzene
  • 2-( dimethoxymethyl)hept-1-enylbenzene
  • alpha- pentyl cinnamaldehyde dimethyl acetal
  • alpha- pentylcinnamaldehyde dimethyl acetal

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):HMDB36221
FooDB:FDB015079
Export Tariff Code:2911.00.5000
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 248.36567687988
Specific gravity @ 20 °C
Pounds per Gallon 7.947 to 8.031
Acid Value 1 max KOH/g
Vapor Pressure 0.00016 mmHg @ 25 °C
Flash Point TCC Value 92.22 °C TCC
logP (o/w) 4.691 est
Solubility
alcohol Yes
water, 2.257 mg/L @ 25 °C (est) Yes
water No
Stability
alkalis Unspecified
amines Unspecified
ammonia Unspecified

Organoleptic Properties

Odor Type: Floral
jasmin, lily, green, lemon
Odor strength medium
Substantivity 16 hour(s) at 100.00 %
Luebke, William tgsc, (1989) At 100.00 %. bland jasmin lily green lemon

Potential Uses

Applications
Odor purposes Apple, Floral, Green, Jonquil, Floral, Wallflower
Other purposes Natural
Cosmetic purposes Perfuming agents

Safety Information

Safety information

European information :
Most important hazard(s):
Xi - Irritant
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 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.
Human Experience:
8 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
oral-rat LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 13, Pg. 711, 1975.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 13, Pg. 711, 1975.

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 alpha-amyl cinnamaldehyde dimethyl acetal usage levels up to:
8.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.007 (μg/capita/day)
Structure Class: II
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: -2.60000
beverages(nonalcoholic): -0.80000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 1.500002.00000
fruit ices: 1.500002.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -2.00000
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: --
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):

Flavouring Group Evaluation 214: alpha,beta-Unsaturated aldehydes and precursors from chemical subgroup 3.1 of FGE.19: Cinnamyl derivatives[1]
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 68 (FGE.68): Consideration of cinnamyl alcohol and related flavouring agents evaluated by JECFA (55th meeting) evaluated by EFSA in FGE.15Rev1 (2008)
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):91-87-2
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :62337
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
2-(dimethoxymethyl)hept-1-enylbenzene
Chemidplus:0000091872
RTECS:GD6837500 for cas# 91-87-2
[(E)-2-(dimethoxymethyl)hept-1-enyl]benzene
[(Z)-2-(dimethoxymethyl)hept-1-enyl]benzene