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2-phenyl propionaldehyde

Chemical Structure

General Material Information

Preferred name 2-phenyl propionaldehyde
Trivial Name 2-Phenylpropanal
Short Description hydratropic aldehyde
Formula C9 H10 O
CAS Number 93-53-8
FEMA Number 2886
Flavis Number 5.038
ECHA Number 202-255-5
FDA UNII 8JKX55PKZQ
Nikkaji Number J35.593C
Beilstein Number 1905601
MDL MFCD00006973
COE Number 126
xLogP3-AA 1.90 (est)
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 1467 2-phenylpropionaldehyde
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 93-53-8 ; 2-PHENYLPROPIONALDEHYDE
Synonyms
  • benzeneacetalaldehyde, a-methyl-
  • cumene aldehyde
  • alpha- formyl ethyl benzene
  • a- formylethylbenzene
  • hyacinthal
  • hydratrop aldehyde
  • hydratropa aldehyde
  • hydratropaldehyde
  • hydratropic aldehyde
  • hydratropic aldehyde natural
  • hydratropic aldehyde special
  • hydrotropal (Tadimety)
  • hydrotropic aldehyde
  • alpha- methyl benzene acetaldehyde
  • alpha- methyl phenyl acetaldehyde
  • a- methyl phenylacetaldehyde
  • alpha- methyl tolualdehyde
  • a- methyl-a-toluic aldehyde
  • alpha- methyl-alpha-toluic aldehyde
  • a- methylbenzeneacetaldehyde
  • a- methylphenylacetaldehyde
  • a- methyltolualdehyde
  • alpha- methyltolualdehyde
  • 2-phenyl propanal
  • alpha- phenyl propanal
  • 2-phenyl propionaldehyde
  • a- phenyl propionaldehyde
  • alpha- phenyl propionaldehyde
  • 2-phenyl-1-propanal
  • 2-phenylpropanal
  • a- phenylpropanal
  • phenylpropanal, natural
  • (rac)-2-phenylpropionaldehyde
  • 2-phenylpropionaldehyde
  • a- phenylpropionaldehyde
  • DL-2-phenylpropionaldehyde
  • propanal, phenyl-
  • propionaldehyde, 2-phenyl-
  • a- tolualdehyde, a-methyl-
  • Benzeneacetaldehyde, α-methyl-
  • α-Methylbenzeneacetaldehyde
  • α-Methylphenylacetaldehyde
  • α-Methyl-α-toluic aldehyde
  • 2-Phenylpropanal
  • α-Phenylpropionaldehyde
  • 2-Phenylpropionaldehyde
  • α-Formylethylbenzene
  • (±)-α-Phenylpropionaldehyde
  • (±)-2-Phenylpropanal
  • (±)-Hydratropic aldehyde
  • (±)-2-Phenylpropionaldehyde
  • 2-Phenylpropanaldehyde
  • NSC 5231

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

Google Scholar Start search
Google Books Start search
Google Patents Start search
Perfumer & Flavorists Start search
EU Patents Start search
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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):HMDB31626
FooDB:FDB008265
Export Tariff Code:2912.29.6000
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex Yes
Molecular weight 134.17790222168
Specific gravity @ 25 °C
Pounds per Gallon 8.329 to 8.396
Specific gravity @ 20 °C
Pounds per Gallon 8.347 to 8.414
Refractive Index 1.518 to 1.523 @ 20 °C
Boiling Point 92 to 94°C @ 12 mm Hg
Acid Value 1 max KOH/g
Vapor Pressure 0.294 mmHg @ 25 °C
Flash Point TCC Value 76.11 °C TCC
logP (o/w) 2.113 est
Solubility
alcohol Yes
fixed oils Yes
water, 1877 mg/L @ 25 °C (est) Yes
water No
glycerin No
Stability
alkalis Unspecified
bath foam Unspecified
hair spray Unspecified
non-discoloring in most media Unspecified
powder Unspecified
soap Unspecified

Organoleptic Properties

Odor Type: Green
fresh, sharp, green, hyacinth, leafy, lilac
Odor strength medium , recommend smelling in a 10.00 % solution or less
Substantivity 24 hour(s) at 100.00 %
Luebke, William tgsc, (1989) At 10.00 % in dipropylene glycol. fresh sharp green hyacinth leaf lilac
Flavor Type: Green
fresh, green, aromatic, herbal, floral, hyacinth
General comment Fresh aromatic, herbaceous, floral ,hyacinth

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:
2 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
oral-rat LD50 2800 mg/kg
BEHAVIORAL: COMA SKIN AND APPENDAGES (SKIN): HAIR: OTHER
Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
National Technical Information Service. Vol. OTS0572460

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
IFRA Critical Effect:
Dermal sensitization and systemic toxicity
View the IFRA Standard
View IFRA Standards Library for complete information.
Please review Amendment 49 IFRA documentation for complete information.
IFRA RESTRICTION LIMITS IN THE FINISHED PRODUCT (%):
Category 1: Products applied to the lips
0.029 %
Category 2: Products applied to the axillae
0.0087 %
Category 3: Products applied to the face/body using fingertips
0.096 %
Category 4: Products related to fine fragrance
0.16 %
Category 5: Products applied to the face and body using the hands (palms), primarily leave-on
Category 5A: Body lotion products applied to the body using the hands (palms), primarily leave-on
0.041 %
Category 5B: Face moisturizer products applied to the face using the hands (palms), primarily leave-on
0.041 %
Category 5C: Hand cream products applied to the hands using the hands (palms), primarily leave-on
0.041 %
Category 5D: Baby Creams, baby Oils and baby talc
0.041 %
Category 6: Products with oral and lip exposure
0.096 %
Category 7: Products applied to the hair with some hand contact
Category 7A: Rinse-off products applied to the hair with some hand contact
0.19 %
Category 7B: Leave-on products applied to the hair with some hand contact
0.19 %
Category 8: Products with significant anogenital exposure
0.014 %
Category 9: Products with body and hand exposure, primarily rinse off
0.32 %
Category 10: Household care products with mostly hand contact
Category 10A: Household care excluding aerosol products (excluding aerosol/spray products)
0.32 %
Category 10B: Household aerosol/spray products
0.77 %
Category 11: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate
Category 11A: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
0.014 %
Category 11B: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
0.014 %
Category 12: Products not intended for direct skin contact, minimal or insignificant transfer to skin
31.00 %
Notes:
IFRA FLAVOR REQUIREMENTS:

Due to the possible ingestion of small amounts of fragrance ingredients from their use in products in Categories 1 and 6, materials must not only comply with IFRA Standards but must also be recognized as safe as a flavoring ingredient as defined by the IOFI Code of Practice (www.iofi.org). For more details see chapter 1 of the Guidance for the use of IFRA Standards.

Maximised Survey-derived Daily Intakes (MSDI-EU): 110.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 6.00 (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: -0.85000
beverages(nonalcoholic): -0.61000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -0.30000
fruit ices: -0.30000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -0.85000
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 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

Safety and efficacy of aryl-substituted primary alcohol, aldehyde, acid, ester and acetal derivatives belonging to chemical group 22 when used as flavourings for all animal species
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):93-53-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :7146
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:1
2-phenylpropanal
Chemidplus:0000093538
RTECS:CY1460000 for cas# 93-53-8