Introduction：Basic information about CAS 7451-98-1|3,4-Dihydroxypropiophenone, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3,4-Dihydroxypropiophenone |
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| CAS Number | 7451-98-1 | Molecular Weight | 166.174 |
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| Density | 1.2±0.1 g/cm3 | Boiling Point | 375.1±27.0 °C at 760 mmHg |
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| Molecular Formula | C9H10O3 | Melting Point | 145-146°C |
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| MSDS | / | Flash Point | 194.8±20.2 °C |
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Names
| Name | 1-(3,4-dihydroxyphenyl)propan-1-one |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.2±0.1 g/cm3 |
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| Boiling Point | 375.1±27.0 °C at 760 mmHg |
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| Melting Point | 145-146°C |
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| Molecular Formula | C9H10O3 |
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| Molecular Weight | 166.174 |
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| Flash Point | 194.8±20.2 °C |
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| Exact Mass | 166.062988 |
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| PSA | 57.53000 |
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| LogP | 1.82 |
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| Vapour Pressure | 0.0±0.9 mmHg at 25°C |
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| Index of Refraction | 1.580 |
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| InChIKey | HNWIHBDMOYWCGX-UHFFFAOYSA-N |
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| SMILES | CCC(=O)c1ccc(O)c(O)c1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- UH0450000
- CHEMICAL NAME :
- Propiophenone, 3',4'-dihydroxy-
- CAS REGISTRY NUMBER :
- 7451-98-1
- LAST UPDATED :
- 199203
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C9-H10-O3
- MOLECULAR WEIGHT :
- 166.19
- WISWESSER LINE NOTATION :
- QR BQ DV2
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 760 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 23,990,1989
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 650 mg/kg
- TOXIC EFFECTS :
- Behavioral - altered sleep time (including change in righting reflex)
- REFERENCE :
- JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 7,178,1964
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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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| HS Code | 2914501900 |
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Customs
| HS Code | 2914501900 |
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| Summary | 2914501900 other ketone-phenols。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0% |
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Synonyms
| MFCD00016440 |
| 1-(3,4-dihydroxyphenyl)propan-1-one |
| 1-(3,4-Dihydroxyphenyl)-1-propanone |
| 4-propionylpyrocatechol |
| Propiophenone,3',4'-dihydroxy |
| 1-Propanone, 1-(3,4-dihydroxyphenyl)- |
| 3',4'-dihydroxypropiophenone |
| 3,4-Dihydroxypropiophenone |
