Introduction：Basic information about CAS 766-97-2|4-Ethynyltoluene, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 4-Ethynyltoluene |
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| CAS Number | 766-97-2 | Molecular Weight | 116.160 |
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| Density | 0.9±0.1 g/cm3 | Boiling Point | 164.1±19.0 °C at 760 mmHg |
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| Molecular Formula | C9H8 | Melting Point | 168-170 |
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| MSDS | / | Flash Point | 48.9±0.0 °C |
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Names
| Name | 4-Ethynyltoluene |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 0.9±0.1 g/cm3 |
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| Boiling Point | 164.1±19.0 °C at 760 mmHg |
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| Melting Point | 168-170 |
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| Molecular Formula | C9H8 |
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| Molecular Weight | 116.160 |
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| Flash Point | 48.9±0.0 °C |
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| Exact Mass | 116.062599 |
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| LogP | 2.86 |
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| Vapour Pressure | 2.6±0.1 mmHg at 25°C |
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| Index of Refraction | 1.534 |
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| InChIKey | KSZVOXHGCKKOLL-UHFFFAOYSA-N |
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| SMILES | C#Cc1ccc(C)cc1 |
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| Storage condition | Keep Cold |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- XT2570000
- CHEMICAL NAME :
- Toluene, p-ethynyl-
- CAS REGISTRY NUMBER :
- 766-97-2
- BEILSTEIN REFERENCE NO. :
- 0969653
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C9-H8
- MOLECULAR WEIGHT :
- 116.17
- WISWESSER LINE NOTATION :
- 1UU1R D1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 100 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#05936
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Safety Information
| Hazard Codes | Xi:Irritant; |
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| Risk Phrases | R10;R36/37/38 |
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| Safety Phrases | S16-S26-S27-S36/37/39 |
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| RIDADR | UN 3295 3/PG 3 |
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| WGK Germany | 3 |
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| RTECS | XT2570000 |
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| Packaging Group | III |
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| Hazard Class | 3 |
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| HS Code | 2902909090 |
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Customs
| HS Code | 2902909090 |
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| Summary | 2902909090 other aromatic hydrocarbons。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:2.0%。General tariff:30.0% |
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Synonyms
| Benzene, 1-ethynyl-4-methyl- |
| p-ethynyltoluene |
| 4-Ethynyltoluene |
| 4-Methylphenylacetylene |
| 1-Ethynyl-4-methylbenzene |
| MFCD00008571 |
