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501-52-0

501-52-0 Structure

501-52-0 Structure
IdentificationMore
[Name]

3-Phenylpropionic acid
[CAS]

501-52-0
[Synonyms]

3-PHENYLPROPANOIC ACID
3-PHENYLPROPIONIC ACID
BENZENEPROPANOIC ACID
BENZYLACETIC ACID
BETA-PHENYLPROPIONIC
BETA-PHENYLPROPIONIC ACID
DIHYDROCINNAMIC ACID
FEMA 2889
HYDROCINNAMIC ACID
HYDROXYCINNAMIC ACID
LABOTEST-BB LT00014254
RARECHEM AL BO 0168
Benzenepropionic acid
benzenepropionicacid
hydrocinnamic
Phenylpropanoic acid
propanoicacid,3-phenyl-
propionicacid,3-phenyl-
Benyl propionic acid
Hydrocinamic acid
[EINECS(EC#)]

207-924-5
[Molecular Formula]

C9H10O2
[MDL Number]

MFCD00002771
[Molecular Weight]

150.17
[MOL File]

501-52-0.mol
Chemical PropertiesBack Directory
[Appearance]

white to off-white crystalline mass, powder or crystals and/or chunk
[Melting point ]

45-48 °C (lit.)
[Boiling point ]

280 °C (lit.)
[density ]

1.071 g/mL at 25 °C(lit.)
[FEMA ]

2889
[refractive index ]

1.5408 (estimate)
[Fp ]

>230 °F
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

ethanol: soluble50mg/mL, clear, colorless to faintly yellow
[form ]

Liquid
[pka]

4.66(at 25℃)
[color ]

Clear yellow to yellow-green
[Specific Gravity]

1.071
[Water Solubility ]

Soluble in water
[Detection Methods]

HPLC,NMR
[JECFA Number]

646
[Merck ]

14,4784
[BRN ]

907515
[InChIKey]

XMIIGOLPHOKFCH-UHFFFAOYSA-N
[CAS DataBase Reference]

501-52-0(CAS DataBase Reference)
[NIST Chemistry Reference]

3-Phenylpropanoic acid(501-52-0)
[EPA Substance Registry System]

501-52-0(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[WGK Germany ]

3
[RTECS ]

DA8600000
[TSCA ]

Yes
[HS Code ]

29163900
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Nickel-->Amalgam sodium
[Preparation Products]

Iopanoic acid-->3-(4-NITRO-PHENYL)-PROPIONALDEHYDE-->Bedaquiline (fuMarate)-->Cyclohexanepropionic acid-->(3aR,4R,5R,6aS)-5-(Benzoyloxy)hexahydro-4-[(1E)-3-oxo-5-phenyl-1-pentenyl]-2H-cyclopenta[b]furan-2-one-->USP7-IN-1-->(S)-(+)-2-Phenylpropionic acid
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

beta-Phenylpropionic acid(501-52-0).msds
Questions And AnswerBack Directory
[Description]

3-Phenylpropionic acid is a carboxylic acid that belongs to the class of phenylpropanoids. Also referred as hydrocinnamic acid, the chemical is a white crystalline solid with a sweet fatty smell of rose musk cinnamon at room temperature. 3-Phenylpropionic acid is soluble in both water and alcohol. It is widely used in food additives, cosmetics, and pharmaceuticals.
[Preparation]

Hydrogenation of cinnamic acid is used in the preparation of 3-Phenylpropionic acid. Initially, the chemical was prepared by reduction with sodium amalgam in water by electrolysis.
[Uses]

Food Industry
3-Phenylpropionic acid is utilized in the food industry as a preservative as well as to maintain the original quality of aroma of frozen foods. It is also used for flavoring and restoring original color to food. 3-Phenylpropionic acid is added to shelved foods to prevent microorganisms from deteriorating the food. It also acts as an antioxidant to prolong the life of foodstuff in shelves. 3-Phenylpropionic acid is also used as a food sweetener.
3-Phenylpropionic acid acts as an emulsifier as it can keep water and oil mixtures separated. 3-Phenylpropionic acid can be added in food for technological reasons in wide range such as processing, manufacturing, packaging, treatment, transportation, and storage.
Cosmetics
3-Phenylpropionic acid is used in beautifying products such as bath gels, detergent powders, and fabric softeners as it gives a floral scent. It is also used as a flavour for mouthwashes and toothpastes.
Hazard InformationBack Directory
[Chemical Properties]

3-Phenylpropionic acid has a faint, sweet odor, somewhat balsamic and coumarin-like with a mildly sweet-sour, vanilla-like taste.
[Chemical Properties]

white to off-white crystalline mass, powder or crystals and/or chunk
[Occurrence]

Reported found in raspberry, guava fruit, Vitis vinifera L., papaya, strawberry fruit, cinnamon, cassia leaf, cheddar cheese, cocoa, beer, cognac, white wine, red wine, special wine, rose apple, mushroom, cloudberry, Boletus edulis, fresh mango, licorice and labdanum.
[Definition]

ChEBI: A monocarboxylic acid that is propionic acid substituted at position 3 by a phenyl group.
[Synthesis Reference(s)]

Tetrahedron Letters, 29, p. 5599, 1988 DOI: 10.1016/S0040-4039(00)80822-9
[General Description]

Hydrocinnamic acid forms complexes with uranium(VI) and has been investigated in aqueous solution by attenuated total reflection fourier transform infrared spectroscopy. Hydrocinnamic acids are the major rhizospheric compounds with known growth regulatory activity.
[Purification Methods]

Crystallise the acid from *benzene, CHCl3 or pet ether (b 40-60o). Dry it in a vacuum. [Beilstein 9 H 508.]
Spectrum DetailBack Directory
[Spectrum Detail]

3-Phenylpropionic acid(501-52-0)MS
3-Phenylpropionic acid(501-52-0)1HNMR
3-Phenylpropionic acid(501-52-0)13CNMR
3-Phenylpropionic acid(501-52-0)IR1
3-Phenylpropionic acid(501-52-0)IR2
3-Phenylpropionic acid(501-52-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Hydrocinnamic acid, 99%(501-52-0)
[Alfa Aesar]

3-Phenylpropionic acid, 99%(501-52-0)
[Sigma Aldrich]

501-52-0(sigmaaldrich)
[TCI AMERICA]

3-Phenylpropionic Acid,>98.0%(GC)(T)(501-52-0)
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