3-phenyl propionic acid
3-phenylpropionic acid
 
Notes:
Hydrocinnamic acid is an analogue of phenylalanine. It is a substrate of the enzyme oxidoreductases [EC 1.14.12.-] in the pathway phenylalanine metabolism (KEGG).
  • Alfrebro
    • Alfrebro LLC/ Archer Daniels Midland Company
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      Building great taste with aroma chemicals, extracts, and distillates
      The Alfrebro brand was established in the early 1900s by Alex Fries & Brothers, a Cincinnati Flavor Company. In 1980, the brand was re-launched as an aroma chemical manufacturer. Since its inception, Alfrebro’s primary focus has been to provide quality natural and high value synthetic chemicals.
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    • Beijing Lys Chemicals Co, LTD.
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      BEIJING LYS CHEMICALS CO, LTD, established in 2004, is a fine chemical high-tech company which contains R&D, production, and sales. We mainly engaged in export and technology development of flavor and fragrance materials and pharmaceutical intermediates. We have nearly 500 kinds of products, from grams to tons, exported to USA, Europe, South Asia and etc. And we custom manufacture new products according to customers’ needs, and serve good quality products and service. Our goal is to become a fine chemical enterprise which could provide special products and services.
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      Flexibility, availability, price and quality make LLUCH ESSENCE S.L. one of Europe’s references when it comes to essential oils and aroma chemicals, and it is now well known all around the world.
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  • M&U International
    • M&U International LLC
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      A0129 3-Phenylpropionic Acid, Kosher
      N0133 Nat.3-Phenylpropionic Acid, Kosher
       
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    • Penta International Corporation
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      For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes.
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      Product(s):
      16-42800 3-PHENYLPROPIONIC ACID
      16-42801 3-PHENYLPROPIONIC ACID CRYSTALLINE POWDER
       
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  • Synerzine
    • Synerzine, Inc.
      Innovation. Customization. Aroma Ingredients.
      Synerzine is a leading supplier of flavor and fragrance ingredients.
      Synerzine expresses what we have grown to embody as an organization - the synergy and connection between raw ingredients, science, technology, and the final product. Our experienced team is passionate about bringing our customers high-quality innovative ingredients that they can trust.
      Building upon our 44 year history, the Synerzine team provides customers around the globe with convenient access to over 1200 high-quality aroma ingredients. We actively engage with customers to add a wide array of new products and services on a regular basis. Our aim is to delight every customer with our exceptional services, large product selection, customization and the highest quality and safety standards. We provide our customers with true value designed to help them bring their products to market faster.
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      W1712 3-Phenylpropionic Acid
       
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    • TCI AMERICA
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      Tokyo Chemical Industry Co., Ltd. (TCI) is a leading worldwide manufacturer of specialty organic chemicals founded in 1946. TCI provides organic laboratory chemicals as well as pharmaceutical, cosmetic and functional materials. More than 70 years of synthesis experience and multi-purpose plants enable TCI to offer more than 30,000 products as well as custom synthesis.
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      H0183 3-Phenylpropionic Acid >98.0%(GC)(T)
       
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    • Tianjin Danjun International Trade Co., LTD.
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      Tianjin danjun international trade co., LTD. is an organic chemicals trading company approved by the relevant state authorities to register. We have about 300 kinds of products (natural aroma chemicals, synthetic aroma chemicals and pharmaceutical intermediates). Most of the products are used in flavor and fragrance industry. We know the Chinese chemical market well and we have close relationship with many of the main manufacturers, and to provide our customers with quality goods together with comprehensive service.
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      G-014 3-Phenylpropionic acid
       
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    • Qingdao Free Trade Zone United International Co Ltd
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      7169 3-Phenylpropionic acid
       
  • WholeChem
    • WholeChem, LLC
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      3-Phenylpropionic acid
       
Synonyms   Articles   Notes   Search
CAS Number: 501-52-0Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 207-924-5
FDA UNII: 5Q445IN5CU
Nikkaji Web: J2.601H
Beilstein Number: 0907515
MDL: MFCD00002771
CoE Number: 32
XlogP3: 1.80 (est)
Molecular Weight: 150.17710000
Formula: C9 H10 O2
BioActivity Summary: listing
NMR Predictor: Predict (works with chrome or firefox)
Category: flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
Google Books: Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist: Search
Google Patents: Search
US Patents: Search
EU Patents: Search
Pubchem Patents: Search
PubMed: Search
NCBI: Search
JECFA Food Flavoring: 646  3-phenylpropionic acid
DG SANTE Food Flavourings: 08.032  3-phenylpropionic acid
FEMA Number: 2889 3-phenylpropionic acid
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):501-52-0 ; 3-PHENYLPROPIONIC ACID
FDA Regulation:
FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION
Subpart F--Flavoring Agents and Related Substances
Sec. 172.515 Synthetic flavoring substances and adjuvants.
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Physical Properties:
Appearance: white crystals (est)
Assay: 99.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 1.07100 @  25.00 °C.
Melting Point: 47.00 to  50.00 °C. @ 760.00 mm Hg
Boiling Point: 280.00 °C. @ 760.00 mm Hg
Boiling Point: 169.00 to  170.00 °C. @ 28.00 mm Hg
Vapor Pressure: 0.002000 mmHg @ 25.00 °C. (est)
Flash Point: > 230.00 °F. TCC ( > 110.00 °C. )
logP (o/w): 1.840
Soluble in:
 alcohol
 water, 5900 mg/L @ 20 °C (exp)
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Organoleptic Properties:
 
Odor Type: floral
 
 sweet  fatty  rose  musk  cinnamon  
Odor Description:
at 1.00 % in dipropylene glycol. 
sweet fatty rose musk cinnamon
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
Alfa Biotechnology
For experimental / research use only.
3-Phenylpropionic acid 98%
Alfrebro
DIHYDROCINNAMIC ACID NATURAL
Beijing Lys Chemicals
3-Phenylpropionic acid
BOC Sciences
For experimental / research use only.
Hydrocinnamic acid 98%
EMD Millipore
For experimental / research use only.
3-Phenylpropionic Acid
ExtraSynthese
For experimental / research use only.
Hydrocinnamic acid
Inoue Perfumery
3-PHENYLPROPIONIC ACID
Lluch Essence
3-PHENYL PROPIONIC ACID
Odor: SWEET, FLORAL, FATTY
M&U International
3-Phenylpropionic Acid, Kosher
M&U International
Nat.3-Phenylpropionic Acid, Kosher
Moellhausen
DIHYDROCINNAMIC ACID
Pearlchem Corporation
Natural 3-Phenylpropionic Acid
Penta International
3-PHENYLPROPIONIC ACID CRYSTALLINE POWDER
Penta International
3-PHENYLPROPIONIC ACID
Sigma-Aldrich
3-Phenylpropionic acid, 99%, FG
Odor: rose; sweet
Certified Food Grade Products
Sunaux International
3-Phenylpropionic Acid
Sunaux International
nat.3-Phenylpropionic Acid
Synerzine
3-Phenylpropionic Acid
TCI AMERICA
For experimental / research use only.
3-Phenylpropionic Acid >98.0%(GC)(T)
Tianjin Danjun International
3-Phenylpropionic acid
United International
3-Phenylpropionic acid
WEN International
DIHYDROCINNAMIC ACID Natural
WholeChem
3-Phenylpropionic acid
Xiamen Doingcom Chemical
For experimental / research use only.
3-Phenylpropionic Acid
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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)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
oral-mouse LD50  > 1600 mg/kg
Unusual study design. Study not considered valid for the derivation of an LD50 value.
(Schafer & Bowles, 1985)

intraperitoneal-mouse LD50  1202 mg/kg
Yakugaku Zasshi. Journal of Pharmacy. Vol. 104, Pg. 793, 1984.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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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 3-phenyl propionic acid usage levels up to:
  0.5000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 20.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.50 (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: -17.00000
beverages(nonalcoholic): 0.020001.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 0.480001.00000
fruit ices: 0.480001.00000
gelatins / puddings: -1.20000
granulated sugar: --
gravies: --
hard candy: 0.800004.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: -2.00000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --
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Safety References:
Flavor & Extract Manufacturers Association (FEMA) reference(s):
The FEMA GRAS assessment of cinnamyl derivatives used as flavor ingredients. View pdf
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 15 (FGE.15): Aryl-substituted saturated and unsaturated primary alcohol/aldehyde/acid/ester derivatives from chemical group 22 (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf
Flavouring Group Evaluation 15, Revision 1 (FGE.15Rev1) - Aryl-substituted saturated and unsaturated primary alcohol/aldehyde/acid/ester derivatives from chemical group 22 - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
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
Chemical Carcinogenesis Research Information System: Search
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
EPA Substance Registry Services (TSCA): 501-52-0
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 107
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 3
 3-phenylpropanoic acid
Chemidplus: 0000501520
RTECS: DA8600000 for cas# 501-52-0
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References:
 3-phenylpropanoic acid
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 501-52-0
Pubchem (cid): 107
Pubchem (sid): 134978372
Flavornet: 501-52-0
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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
CHEBI: View
CHEMBL: View
Golm Metabolome Database: Search
Metabolomics Database: Search
UM BBD: Search
KEGG (GenomeNet): C05629
HMDB (The Human Metabolome Database): HMDB00764
FooDB: FDB008271
Export Tariff Code: 2916.39.7900
Typical G.C.
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Wikipedia: View
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Potential Blenders and core components note
 
For Odor
earthy
 methyl undecylenateFL/FR
fatty
 decyl oxyacetaldehydeFR
floral
 musk acetateFR
fruity
 allyl isononylateFR
waxy
(Z)-5-decen-1-ol 
woody
 labdanum ethanoneFR
 
For Flavor
 
No flavor group found for these
(Z)-5-decen-1-ol 
waxy
 methyl undecylenateFL/FR
 
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Potential Uses:
 aniseFR
 balsamFR
 bergamotFR
 camphor tree barkFL/FR
 cardamom oil replacerFR
 citrusFR
 fir needle oil replacerFR
 floralFR
 labdanumFR
 lemonFR
 limeFR
 myrrhFR
 orientalFR
 pepperFR
 sandalwoodFR
 vanillaFR
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Occurrence (nature, food, other): note
 cassia plant
Search Trop  Picture
 cistus oil @ 6.5%
Data  GC  Search Trop  Picture
 labdanum
Search Trop  Picture
 raspberry red raspberry fruit
Search Trop  Picture
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Synonyms:
 benzene propanoic acid
 benzene propionic acid
 benzenepropanoic acid
 benzenepropionic acid
 benzyl acetic acid
 dihydrocinnamic acid
 dihydrocinnamic acid natural
 hydrocinnamic acid
beta-phenyl propionic acid
3-phenyl-N-propionic acid
3-phenylpropanoic acid
3-phenylpropionic acid
b-phenylpropionic acid
nat.3-phenylpropionic acid
3-phenylpropionic acid crystalline powder
 propionic acid, 3-phenyl-
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Articles:
PubMed: Gut microbial metabolism of polyphenols from black tea and red wine/grape juice is source-specific and colon-region dependent.
PubMed: Absorption of dimethoxycinnamic acid derivatives in vitro and pharmacokinetic profile in human plasma following coffee consumption.
PubMed: Profiling of phenols in human fecal water after raspberry supplementation.
PubMed: Bioprocessing of wheat bran improves in vitro bioaccessibility and colonic metabolism of phenolic compounds.
PubMed: Chemical characterization of Citrus sinensis grafted on C. limonia and the effect of some isolated compounds on the growth of Xylella fastidiosa.
PubMed: Weakening of salmonella with selected microbial metabolites of berry-derived phenolic compounds and organic acids.
PubMed: Use of the pig caecum model to mimic the human intestinal metabolism of hispidulin and related compounds.
PubMed: The pig caecum model: a suitable tool to study the intestinal metabolism of flavonoids.
PubMed: Hippuric acid as a major excretion product associated with black tea consumption.
PubMed: Excretion of benzoic acid derivatives in urine of sheep given intraruminal infusions of 3-phenylpropionic and cyclohexanecarboxylic acids.
PubMed: Metabolism of trans-cinnamic acid in the rat and the mouse and its variation with dose.
PubMed: Studies on trans-cinnamaldehyde. 1. The influence of dose size and sex on its disposition in the rat and mouse.
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