Introduction：Basic information about CAS 3031-66-1|2,5- hexyne diol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 2,5- hexyne diol |
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| CAS Number | 3031-66-1 | Molecular Weight | 114.142 |
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| Density | 1.1±0.1 g/cm3 | Boiling Point | 221.9±8.0 °C at 760 mmHg |
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| Molecular Formula | C6H10O2 | Melting Point | 42 °C(lit.) |
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| MSDS | / | Flash Point | 104.0±13.0 °C |
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Names
| Name | 3-Hexyn-2,5-diol |
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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 | 221.9±8.0 °C at 760 mmHg |
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| Melting Point | 42 °C(lit.) |
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| Molecular Formula | C6H10O2 |
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| Molecular Weight | 114.142 |
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| Flash Point | 104.0±13.0 °C |
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| Exact Mass | 114.068077 |
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| PSA | 40.46000 |
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| LogP | -0.41 |
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| Vapour Pressure | 0.0±1.0 mmHg at 25°C |
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| Index of Refraction | 1.490 |
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| InChIKey | KDOWHHULNTXTNS-UHFFFAOYSA-N |
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| SMILES | CC(O)C#CC(C)O |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- MR0175000
- CHEMICAL NAME :
- 3-Hexyne-2,5-diol
- CAS REGISTRY NUMBER :
- 3031-66-1
- BEILSTEIN REFERENCE NO. :
- 1720667
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C6-H10-O2
- MOLECULAR WEIGHT :
- 114.16
- WISWESSER LINE NOTATION :
- QY1&1UU1YQ1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 500 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CBCCT* "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. (National Academy of Science Library, 2101 Constitution Ave., NW, Washington, DC 20418) Volume(issue)/page/year: 4,378,1952 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - E0847 No. of Facilities: 27 (estimated) No. of Industries: 1 No. of Occupations: 3 No. of Employees: 294 (estimated) No. of Female Employees: 27 (estimated)
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Safety Information
| Hazard Codes | T:Toxic |
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| Risk Phrases | R25;R36 |
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| Safety Phrases | S26-S36/37/39-S45 |
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| RIDADR | UN 2811 6.1/PG 3 |
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| WGK Germany | 2 |
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| RTECS | MR0175000 |
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| Packaging Group | III |
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| Hazard Class | 6.1(b) |
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| HS Code | 2905399090 |
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Customs
| HS Code | 2905399090 |
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| Summary | 2905399090 other diols。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:5.5%。general tariff:30.0% |
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Synonyms
| 3-HEXYNE-2,5-DIOL,DL AND MESO |
| Bis(1-hydroxyethyl)acetylene |
| hex-3-yne-2,5-diol |
| hex-3-yn-2,5-diol |
| 3-hexine-2,5-diol |
| EINECS 221-209-5 |
| 3-Hexyne-2,5-diol |
| UNII:538TMM2U3G |
| Hexyne-3-diol-2,5 |
| 3-Hexin-2,5-diol |
| Hex-3-in-2,5-diol |
| Hx-3-yne-2,5-diol |
| MFCD00004542 |
| HD |
| 2,5- hexyne diol |
