Introduction：Basic information about CAS 621-54-5|3-(3-Hydroxyphenyl)propionic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-(3-Hydroxyphenyl)propionic acid |
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| CAS Number | 621-54-5 | Molecular Weight | 166.17400 |
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| Density | 1.26 g/cm3 | Boiling Point | 354.5ºC at 760 mmHg |
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| Molecular Formula | C9H10O3 | Melting Point | 111 °C |
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| MSDS | / | Flash Point | 182.4ºC |
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Names
| Name | 3-(3-hydroxyphenyl)propanoic acid |
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| Synonym | More Synonyms |
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3-(3-Hydroxyphenyl)propionic acid BiologicalActivity
| Description | 3-(3-Hydroxyphenyl)propionic acid is a flavonoid metabolite formed by human microflora. 3-(3-Hydroxyphenyl)propionic acid shows vasodilatory activity[1]. |
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| Related Catalog | Research Areas >>Cardiovascular Disease |
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| Target | Human Endogenous Metabolite |
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| References | [1]. Iveta Najmanová, et al. Flavonoid metabolite 3‐(3‐hydroxyphenyl)propionic acid formed by human microflora decreases arterial blood pressure in rats. Wiley Online Library. Volume60, Issue5. May 2016. |
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Chemical & Physical Properties
| Density | 1.26 g/cm3 |
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| Boiling Point | 354.5ºC at 760 mmHg |
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| Melting Point | 111 °C |
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| Molecular Formula | C9H10O3 |
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| Molecular Weight | 166.17400 |
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| Flash Point | 182.4ºC |
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| Exact Mass | 166.06300 |
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| PSA | 57.53000 |
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| LogP | 1.40940 |
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| Index of Refraction | 1.58 |
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| InChIKey | QVWAEZJXDYOKEH-UHFFFAOYSA-N |
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| SMILES | O=C(O)CCc1cccc(O)c1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- MW5340000
- CHEMICAL NAME :
- Hydrocinnamic acid, m-hydroxy-
- CAS REGISTRY NUMBER :
- 621-54-5
- BEILSTEIN REFERENCE NO. :
- 1947445
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C9-H10-O3
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >2 gm/kg
- TOXIC EFFECTS :
- Behavioral - altered sleep time (including change in righting reflex) Behavioral - somnolence (general depressed activity) Nutritional and Gross Metabolic - body temperature decrease
- REFERENCE :
- OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 24,325,1982
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 308 mg/kg
- TOXIC EFFECTS :
- Behavioral - altered sleep time (including change in righting reflex) Behavioral - somnolence (general depressed activity) Nutritional and Gross Metabolic - body temperature decrease
- REFERENCE :
- OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 24,325,1982
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Safety Information
| Risk Phrases | R36/37/38 |
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| Safety Phrases | S26-S36/37/39 |
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| RTECS | MW5340000 |
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| HS Code | 2918290000 |
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Customs
| HS Code | 2918290000 |
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| Summary | HS: 2918290000 other carboxylic acids with phenol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) VAT:17.0% MFN tariff:6.5% General tariff:30.0% |
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Synonyms
| EINECS 210-692-8 |
| 3-(3-Hydroxyphenyl)Propionic Acid |
| MFCD00016554 |
