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phenyl acetaldehyde dimethyl acetal

Chemical Structure

General Material Information

Preferred name phenyl acetaldehyde dimethyl acetal
Trivial Name Phenylacetaldehyde dimethyl acetal
Short Description viridine (Givaudan)
Formula C10 H14 O2
CAS Number 101-48-4
FEMA Number 2876
ECHA Number 202-945-6
FDA UNII P8C94L4MUR
Nikkaji Number J82.120I
Beilstein Number 0879360
MDL MFCD00008487
COE Number 40
xLogP3-AA 2.10 (est)
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 1003 phenacetaldehyde dimethyl acetal
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 101-48-4 ; PHENYLACETALDEHYDE DIMETHYL ACETAL
Synonyms
  • benzene, (2,2-dimethoxyethyl)-
  • 2,2-dimethoxy-1-phenyl ethane
  • 1,1-dimethoxy-2-phenyl ethane
  • 1,1-dimethoxy-2-phenylethane
  • (2,2-dimethoxy-ethyl)-benzene
  • (2,2-dimethoxyethyl) benzene
  • (2,2-dimethoxyethyl)benzene
  • 2,2-dimethoxyethylbenzene
  • hyscylene p
  • phenacetaldehyde dimethyl acetal
  • 2-phenyl acetaldehyde dimethyl acetal
  • phenyl acetaldehyde dimethylacetal
  • phenyl acetaldehyde DMA
  • phenyl acetic aldehyde dimethyl acetal
  • phenylacetald. dimethylacetal
  • phenylacetaldehyde dimethyl acetal
  • phenylacetaldehyde dimethylacetal
  • phenylacetaldehyde DMA
  • rosal
  • alpha- tolyl aldehyde dimethyl acetal
  • vert de lilas
  • viridine (Givaudan)
  • 2,2-dimethoxyethylbenzene
  • Acetaldehyde, phenyl-, dimethyl acetal
  • (2,2-Dimethoxyethyl)benzene
  • α-Tolylaldehyde dimethyl acetal
  • 1,1-Dimethoxy-2-phenylethane
  • 2,2-Dimethoxy-1-phenylethane
  • 2-Phenylacetaldehyde dimethyl acetal
  • NSC 5174

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):HMDB32615
FooDB:FDB010556
Export Tariff Code:2911.00.5000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex Yes
Molecular weight 166.21998596191
Specific gravity @ 25 °C
Pounds per Gallon 8.321 to 8.371
Refractive Index 1.492 to 1.498 @ 20 °C
Boiling Point 219 to 221°C @ 754 mm Hg
Acid Value 1 max KOH/g
Vapor Pressure 0.556 mmHg @ 25 °C
Flash Point TCC Value 89 °C TCC
logP (o/w) 1.692 est
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
fixed oils Yes
paraffin oil Yes
water, 1439 mg/L @ 25 °C (est) Yes
glycerin No
Stability
alkalis Unspecified
amines Unspecified
ammonia Unspecified
bath foam Unspecified
cream Unspecified
hair spray Unspecified
lotion Unspecified
non-discoloring in most media Unspecified
powder Unspecified
shampoo Unspecified
soap Unspecified

Organoleptic Properties

Odor Type: Green
green, foliage, floral, rose, earthy, mushroom
Odor strength medium
Substantivity 100 hour(s) at 100.00 %
Luebke, William tgsc, (1989) At 100.00 %. green foliage floral rosy earthy mushroom
Flavor Type: Green
dry, green, cortex, floral, nasturtium, tropical, resinous, weedy, oily
Luebke, William tgsc, (1989) Dry green cortex floral nasturtium tropical resinous weedy oily
Useful in: brown nuts, fruity red, fruity yellow, fruity tropical, sweet others, alcoholics. Dry, green-floral, fruity, citrus peel
General comment Dry, green-floral, fruity, citrus peel
Used widely in perfumery: with a powerful green-earthy, flower-stem-like odour. Also used in apricot, cherry, honey, fruity/spicy flavours at 12ppm in bakery, at 6ppm in soft confectionery, and at 2ppm in beverages. Green

Occurrences

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
None - None found.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
Flammable liquids (Category 4), H227
GHS Label elements, including precautionary statements
Pictogramexclamation-mark.jpg
Signal word Warning
Hazard statement(s)
H227 - Combustible liquid
Precautionary statement(s)
P210 - Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P280 - Wear protective gloves/protective clothing/eye protection/face protection.
P370 + P378 - In case of fire: Use dry sand, dry chemical or alcohol-resistant foam for extinction.
P403 + P235 - Store in a well-ventilated place. Keep cool.
P501 - Dispose of contents/ container to an approved waste disposal plant.
Human Experience:
2 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
oral-rat LD50 3500 ul/kg
Food and Cosmetics Toxicology. Vol. 13, Pg. 899, 1975.

gavage-rat LD50 [sex: M,F] (Shelanski & Moldovan, 1971c)

Dermal Toxicity:
skin-rabbit LD50 > 2 ml/kg
Food and Cosmetics Toxicology. Vol. 13, Pg. 899, 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 phenyl acetaldehyde dimethyl acetal usage levels up to:
3.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 17.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 40.00 (μg/capita/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: -8.80000
beverages(nonalcoholic): -0.40000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: -1.00000
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: -1.40000
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 14 (FGE.14): Phenethyl alcohol, aldehyde, esters, and related phenylacetic acid esters from chemical group 15 (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf

Flavouring Group Evaluation 53 (FGE.53): Consideration of phenethyl alcohol, aldehyde, acid and related acetals and esters evaluated by JECFA (59th meeting) structurally related to phenethyl alcohol, aldehyde, esters and related phenylacetic acid esters evaluated by EFSA in FGE.14 (2005) and one phenoxyethyl ester evaluated in FGE.23 (2006) (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 14, Revision 1 (FGE.14Rev1): Phenethyl alcohol, aldehyde, acetals, carboxylic acid and related esters from chemical group 15 and 22 [1] - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf

Flavouring Group Evaluation 53, Revision 1 (FGE.53Rev1): Consideration of phenethyl alcohol, aldehyde, acid and related acetals and esters evaluated by JECFA (59th meeting) FGE.23Rev1 (2008)
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):101-48-4
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :60995
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:1
2,2-dimethoxyethylbenzene
Chemidplus:0000101484
RTECS:AB3040000 for cas# 101-48-4