Introduction：Basic information about CAS 4198-90-7|3,5-Dimethyl-4-hydroxybenzonitrile, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3,5-Dimethyl-4-hydroxybenzonitrile |
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| CAS Number | 4198-90-7 | Molecular Weight | 147.174 |
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| Density | 1.1±0.1 g/cm3 | Boiling Point | 310.6±30.0 °C at 760 mmHg |
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| Molecular Formula | C9H9NO | Melting Point | 123-127 °C |
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| MSDS | ChineseUSA | Flash Point | 141.7±24.6 °C |
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| Symbol |
GHS06 | Signal Word | Danger |
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Names
| Name | 3,5-Dimethyl-4-hydroxybenzonitrile |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.1±0.1 g/cm3 |
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| Boiling Point | 310.6±30.0 °C at 760 mmHg |
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| Melting Point | 123-127 °C |
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| Molecular Formula | C9H9NO |
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| Molecular Weight | 147.174 |
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| Flash Point | 141.7±24.6 °C |
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| Exact Mass | 147.068420 |
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| PSA | 44.02000 |
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| LogP | 2.52 |
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| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
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| Index of Refraction | 1.564 |
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| InChIKey | WFYGXOWFEIOHCZ-UHFFFAOYSA-N |
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| SMILES | Cc1cc(C#N)cc(C)c1O |
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| Storage condition | Refrigerator |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- DI4359000
- CHEMICAL NAME :
- Benzonitrile, 3,5-dimethyl-4-hydroxy-
- CAS REGISTRY NUMBER :
- 4198-90-7
- BEILSTEIN REFERENCE NO. :
- 2574734
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C9-H9-N-O
- MOLECULAR WEIGHT :
- 147.19
- WISWESSER LINE NOTATION :
- QR B1 F1 DCN
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 650 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JMPCAS Journal of Medicinal and Pharmaceutical Chemistry. (Washington, DC) V.1-5, 1959-62. For publisher information, see JMCMAR. Volume(issue)/page/year: 2,201,1960
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Safety Information
| Symbol |
GHS06 |
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| Signal Word | Danger |
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| Hazard Statements | H300-H319 |
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| Precautionary Statements | P264-P301 + P310-P305 + P351 + P338 |
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| Personal Protective Equipment | Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges |
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| Hazard Codes | T:Toxic;Xn:Harmful; |
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| Risk Phrases | R25;R20/21/22;R32 |
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| Safety Phrases | S26-S45-S36/37 |
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| RIDADR | UN 2811 6.1/PG 3 |
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| RTECS | DI4359000 |
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| Hazard Class | 6.1 |
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| HS Code | 2926909090 |
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Customs
| HS Code | 2926909090 |
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| Summary | HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
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Synonyms
| QR B1 F1 DCN |
| Benzonitrile, 4-hydroxy-3,5-dimethyl- |
| 4-Cyano-2,6-dimethylphenol |
| 4-Hydroxy-3,5-dimethylbenzonitrile |
| 2,6-Dimethyl-4-cyanophenol |
| MFCD00221716 |
