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501-52-0

Basic Information
CAS No.: 501-52-0
Name: 3-Phenylpropionic acid
Article Data: 714
Molecular Structure:
Molecular Structure of 501-52-0 (3-Phenylpropionic acid)
Formula: C9H10O2
Molecular Weight: 150.177
Synonyms: Hydrocinnamicacid (8CI);3-Phenyl-n-propionic acid;3-Phenylpropanoic acid;Benzenepropionic acid;Benzylacetic acid;Dihydrocinnamicacid;NSC 9272;b-Phenylpropanoic acid;b-Phenylpropionic acid;w-Phenylpropanoic acid;
EINECS: 207-924-5
Density: 1.126 g/cm3
Melting Point: 45-48 °C(lit.)
Boiling Point: 279.999 °C at 760 mmHg
Flash Point: 170.045 °C
Solubility: Soluble in water
Appearance: white to off-white crystalline mass, powder or crystals and/or chunk
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 22-24/25-37/39-26
PSA: 37.30000
LogP: 1.70380
Synthetic route
140-10-3

(E)-3-phenylacrylic acid

501-52-0

3-Phenylpropionic acid

Conditions
ConditionsYield
With formic acid; palladium In methanol; water Ambient temperature;100%
With hydrogen; palladium In ethyl acetate at 25℃; under 760.051 Torr; for 1h;100%
With hydrogen; palladium in polystyrene In tetrahydrofuran at 25℃; under 760.051 Torr; for 1.5h;100%
122-97-4

3-Phenyl-1-propanol

501-52-0

3-Phenylpropionic acid

Conditions
ConditionsYield
With 2,2,6,6-tetramethyl-piperidine-N-oxyl; trichloroisocyanuric acid; sodium hydrogencarbonate; sodium bromide In water; acetone at 20℃; for 6h;100%
With oxygen; potassium hydroxide In methanol; water at 50℃; under 760.051 Torr; for 12h;100%
With sodium hypochlorite; 4-hydroxy-TEMPO benzoate; silica gel In acetone at 0℃; for 0.5h;99%
15814-45-6

allyl 3-phenylpropionate

501-52-0

3-Phenylpropionic acid

Conditions
ConditionsYield
With aminomethyl resin-supported N-propylbarbituric acid; tetrakis(triphenylphosphine) palladium(0) In tetrahydrofuran at 20℃; for 1h;100%
With 2,2'-azobis(isobutyronitrile) In benzene at 65 - 70℃; for 3h;100%
With formic acid; triethylamine In acetonitrile at 80℃; for 0.5h; Inert atmosphere;100%
463298-63-7

(S)-(2,3,4,5,6-pentafluorophenyl) 3-phenylpropanethioate

501-52-0

3-Phenylpropionic acid

Conditions
ConditionsYield
With potassium hydroxide In acetone at 50℃; for 1h;100%
103-41-3

benzy cinnamate

501-52-0

3-Phenylpropionic acid

Conditions
ConditionsYield
With palladium 10% on activated carbon; hydrogen at 20℃; for 24h; Neat (no solvent);100%
With palladium 10% on activated carbon; hydrogen In methanol at 100℃; under 750.075 Torr; Reagent/catalyst; Temperature; Flow reactor;100%
With hydrogen In methanol at 20℃; under 760.051 Torr; for 24h; chemoselective reaction;100%
621-82-9

Cinnamic acid

be

be

501-52-0

3-Phenylpropionic acid

Conditions
ConditionsYield
With hydrogen; potassium hydroxide In water at 20℃; under 760.051 Torr; for 1h; Sealed tube;100%

C23H20O3

501-52-0

3-Phenylpropionic acid

Conditions
ConditionsYield
With potassium phosphate; tris(2,2-bipyridine)ruthenium(II) hexafluorophosphate; ascorbic acid In water; acetonitrile at 20℃; for 1h; Irradiation;100%
With 2-H-1,3-di-tert-butyl-1,3,2-diazaphosphorinane; 2,2'-azobis(isobutyronitrile); 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane In toluene at 90℃; for 12h; chemoselective reaction;99%

1-(4-hydroxy-2,3,5,6-tetramethylphenyl)-3-phenylpropan-1-one

501-52-0

3-Phenylpropionic acid

Conditions
ConditionsYield
With ammonium cerium (IV) nitrate In water at 25℃;100%
2021-28-5

ethyl dihydrocinnamate

501-52-0

3-Phenylpropionic acid

Conditions
ConditionsYield
With NaSiO(CH3)3 In tetrahydrofuran at 20℃; for 6h;99%
With pyrographite; sodium hydroxide In water at 20℃; for 24h; Reagent/catalyst; Temperature;95%
With potassium hydroxide
With samarium diiodide; water; triethylamine In tetrahydrofuran at 20℃; Inert atmosphere;
Multi-step reaction with 2 steps
1.1: n-butyllithium / tetrahydrofuran; hexane / 0.5 h / -78 - 20 °C / Inert atmosphere
1.2: 12 h / -78 °C / Inert atmosphere
2.1: 24 h / 120 °C / Autoclave; Inert atmosphere
View Scheme
621-82-9

Cinnamic acid

501-52-0

3-Phenylpropionic acid

Conditions
ConditionsYield
With samarium diiodide; water In tetrahydrofuran for 1.33333h; Ambient temperature;99%
With Pd(SIPr)(PCy3); hydrogen In methanol at 20℃; under 750.075 Torr; for 24h;99%
With isopropyl alcohol; potassium hydroxide In water at 70℃; for 20h;99%
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    Product Name: 3-Phenylpropionic acid CAS: 501-52-0 MF: C9H10O2 MW: 150.17 EINECS: 207-924-5 Mol File: 501-52-0.mol 3-Phenylpropionic acid Structure 3-Phenylpropionic acid Chemical Properties Melting point 45-48 °C (lit.) B

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    3-Phenylpropanoic acid501-52-0

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  • HYDROCINNAMIC ACID

  • Casno:

    501-52-0

    HYDROCINNAMIC ACID

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Chemistry

Molecular Structure:

Molecular Formula: C9H10O2
Molecular Weight: 150.1745
IUPAC Name: 3-Phenylpropanoic acid
Synonyms of Hydrocinnamic acid (CAS NO.501-52-0): 3-Phenylpropanoic acid ; 3-Phenylpropionic acid ; 4-09-00-01752 (Beilstein Handbook Reference) ; AI3-00892 ; BRN 0907515 ; Benzenepropanoic acid ; Benzenepropionic acid ; Benzylacetic acid ; CCRIS 3199 ; Dihydrocinnamic acid ; EINECS 207-924-5 ; FEMA No. 2889 ; NSC 9272 ; Phenylpropanoic acid ; beta-Phenylpropionic acid
CAS NO: 501-52-0
Classification Code: Drug / Therapeutic Agent
Melting point: 45-48 °C
Index of Refraction: 1.542
Molar Refractivity: 41.999 cm3
Molar Volume: 133.383 cm3
Surface Tension: 44.992 dyne/cm
Density: 1.126 g/cm3
Flash Point: 170.045 °C
Enthalpy of Vaporization: 54.789 kJ/mol
Boiling Point: 279.999 °C at 760 mmHg
Vapour Pressure: 0.002 mmHg at 25°C

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1202mg/kg (1202mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 104, Pg. 793, 1984.

Safety Profile

Hazard Codes of Hydrocinnamic acid (CAS NO.501-52-0): IrritantXi
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 22-24/25-37/39-26 
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
HS Code: 29163900

Specification

1. Fire Fighting Measures of Hydrocinnamic acid (CAS NO.501-52-0)  
General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. This chemical poses an explosion hazard. This material may become self-reactive and possibly explosive. 
Extinguishing Media: Use WATER spray, dry chemical, CARBON dioxide, or chemical foam. 
2. Handling and Storage of Hydrocinnamic acid  
Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. 
Storage: Store in a cool, dry place. Store in a tightly closed container.