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2-phenyl propionaldehyde dimethyl acetal

Chemical Structure

General Material Information

Preferred name 2-phenyl propionaldehyde dimethyl acetal
Trivial Name (2,2-Dimethoxy-1-methylethyl)benzene
Short Description 2-phenylpropionaldehyde dimethyl acetal
Formula C11 H16 O2
CAS Number 90-87-9
Deleted CAS Number 130605-86-6
FEMA Number 2888
Flavis Number 6.03
ECHA Number 202-022-8
FDA UNII H41WGL6C12
Nikkaji Number J59.869K
Beilstein Number 2091958
MDL MFCD00008860
COE Number 2017
xLogP3-AA 2.40 (est)
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 1468 2-phenylpropionaldehyde dimethyl acetal
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 90-87-9 ; 2-PHENYLPROPIONALDEHYDE DIMETHYL ACETAL
Synonyms
  • benzene, (2,2-dimethoxy-1-methylethyl)-
  • (2,2-dimethoxy-1-methyl ethyl) benzene
  • (2,2-dimethoxy-1-methylethyl)benzene
  • 1,1-dimethoxy-2-phenyl propane
  • 1,1-dimethoxy-2-phenylpropane
  • (1,1-dimethoxy-2-propanyl)benzene
  • 1,1-dimethoxyphenyl propane
  • 1-(1,1-dimethoxypropan-2-yl)benzene
  • 1,1-dimethoxypropan-2-ylbenzene
  • hydratropald. dimethylacetal
  • hydratropaldehyde dimethyl acetal
  • hydratropaldehyde, dimethyl acetal
  • hydratropic aldehyde dimethyl acetal
  • hydratropic aldehyde DMA
  • hydratropic DMA
  • hydrotropaldehyde dimethyl acetal
  • hydrotropic aldehyde dimethyl acetal
  • alpha- methyl phenacetaldehyde dimethyl acetal
  • a- methylphenacetaldehyde dimethyl acetal
  • alpha- methylphenacetaldehyde dimethyl acetal
  • 2-phenyl propanal dimethyl acetal
  • 2-phenyl propionaldehyde dimethyl acetal
  • 2-phenylpropanal dimethyl acetal
  • 2-phenylpropanal dimethylacetal
  • 2-phenylpropionaldehyde dimethyl acetal
  • 2-phenylpropionaldehyde-dimethyl acetal
  • 1,1-dimethoxypropan-2-ylbenzene
  • (2,2-Dimethoxy-1-methylethyl)benzene
  • 1,1-Dimethoxy-2-phenylpropane
  • 2-Phenylpropionaldehyde dimethyl acetal
  • α-Methylphenacetaldehyde dimethyl acetal
  • 2-Phenylpropanal dimethylacetal
  • NSC 46115

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
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB32468
FooDB:FDB019983
Export Tariff Code:2911.00.5000
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex Yes
Molecular weight 180.24691772461
Specific gravity @ 25 °C
Pounds per Gallon 8.229 to 8.296
Specific gravity @ 20 °C
Pounds per Gallon 8.247 to 8.314
Refractive Index 1.492 to 1.497 @ 20 °C
Boiling Point 111 to 112°C @ 12 mm Hg
Boiling Point 240 to 241°C @ 760 mm Hg
Vapor Pressure 0.123 mmHg @ 25 °C
Flash Point TCC Value 92.22 °C TCC
logP (o/w) 2.579
Shelf life 24 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
water, 542.5 mg/L @ 25 °C (est) Yes
water No
Stability
alcoholic lotion Unspecified
alkalis Unspecified
antiperspirant Unspecified
bleach Unspecified
deo stick Unspecified
detergent perborate Unspecified
fabric softener Unspecified
hard surface cleaner Unspecified
shampoo Unspecified
soap Unspecified

Organoleptic Properties

Odor Type: Floral
floral, leafy, hyacinth, green, mushroom, earthy, walnut, sweet, citrus, honey
Odor strength medium
Substantivity 12 hour(s) at 100.00 %
Luebke, William tgsc, (1989) At 100.00 %. floral leafy hyacinth green mushroom earthy walnut
Mosciano, Gerard P&F 15, No. 6, 35, (1990) Sweet, floral, citrus, green with a honey nuance
Flavor Type: Fruity
fruity, green, spicy, floral, watercress
Luebke, William tgsc, (1989) Fruity green spicy floral watercress
Mosciano, Gerard P&F 15, No. 6, 35, (1990) At 25.00 ppm. Fruity, green and floral
General comment Fruity green floral

Potential Uses

Applications
Odor purposes Clematis, Fennel, Fungus, Green, Greenhouse, Hyacinth, Hydrangea, Ivy, Rose geranium
Flavoring purposes Green, Mushroom, Walnut, Walnut black walnut
Other purposes Truffle
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.
Human Experience:
4 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
oral-rat LD50 1850 mg/kg
Food and Cosmetics Toxicology. Vol. 17, Pg. 819, 1979.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 17, Pg. 819, 1979.

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 2-phenyl propionaldehyde dimethyl acetal usage levels up to:
10.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 4.30 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 3.00 (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: 3
Click here to view publication 3
average usual ppmaverage maximum ppm
baked goods: -3.10000
beverages(nonalcoholic): -0.26000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: -5.00000
condiments / relishes: -5.00000
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -0.51000
fruit ices: -0.51000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -1.50000
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 55 (FGE.55): Consideration of phenyl-substituted aliphatic alcohols and related aldehydes and esters evaluated by JECFA (63rd meeting) structurally related to phenethyl alcohol, aldehyde, esters and related phenylacetic acid esters evaluated by EFSA in FGE.14 (2005) and aryl-substituted saturated and unsaturated primary alcohol/aldehyde/acid/ester derivatives evaluated by EFSA in FGE.15 (2005) (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
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

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):90-87-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :62336
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
1,1-dimethoxypropan-2-ylbenzene
Chemidplus:0000090879
RTECS:MU6480000 for cas# 90-87-9