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3-phenyl propionic acid
3-phenylpropionic acid

Supplier Sponsors

Name:3-phenylpropanoic acid
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, Edge 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.
 
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)
 
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).
 
Cosmetic Information:
None found
 
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
 
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
 
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: --
 
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 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
 
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
 
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
 
Potential Blenders and core components note
For Odor
earthy
methyl undecylenate
FL/FR
fatty
decyl oxyacetaldehyde
FR
floral
musk acetate
FR
fruity
allyl isononylate
FR
woody
labdanum ethanone
FR
For Flavor
waxy
methyl undecylenate
FL/FR
 
Potential Uses:
FRanise
FRbalsam
FRbergamot
FL/FRcamphor tree bark
FRcardamom oil replacer
FRcitrus
FRfir needle oil replacer
FRfloral
FRlabdanum
FRlemon
FRlime
FRmyrrh
FRoriental
FRpepper
FRsandalwood
FRvanilla
 
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
 
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-
 

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.
 
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).
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