Introduction：Basic information about CAS 6117-91-5|Crotyl alcohol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Crotyl alcohol |
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| CAS Number | 6117-91-5 | Molecular Weight | 72.106 |
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| Density | 0.8±0.1 g/cm3 | Boiling Point | 123.6±8.0 °C at 760 mmHg |
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| Molecular Formula | C4H8O | Melting Point | <-30ºC |
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| MSDS | / | Flash Point | 37.2±0.0 °C |
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Names
| Name | crotyl alcohol |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 0.8±0.1 g/cm3 |
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| Boiling Point | 123.6±8.0 °C at 760 mmHg |
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| Melting Point | <-30ºC |
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| Molecular Formula | C4H8O |
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| Molecular Weight | 72.106 |
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| Flash Point | 37.2±0.0 °C |
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| Exact Mass | 72.057518 |
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| PSA | 20.23000 |
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| LogP | 0.69 |
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| Vapour Pressure | 6.2±0.5 mmHg at 25°C |
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| Index of Refraction | 1.431 |
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| InChIKey | WCASXYBKJHWFMY-UHFFFAOYSA-N |
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| SMILES | CC=CCO |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- EM9275000
- CHEMICAL NAME :
- 2-Buten-1-ol
- CAS REGISTRY NUMBER :
- 6117-91-5
- BEILSTEIN REFERENCE NO. :
- 1719374
- LAST UPDATED :
- 199710
- DATA ITEMS CITED :
- 7
- MOLECULAR FORMULA :
- C4-H8-O
- MOLECULAR WEIGHT :
- 72.12
- WISWESSER LINE NOTATION :
- Q2U2
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 793 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LCLo - Lowest published lethal concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 2000 ppm/4H
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 1084 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
MUTATION DATA - TYPE OF TEST :
- Mutation in microorganisms
- TEST SYSTEM :
- Bacteria - Salmonella typhimurium
- DOSE/DURATION :
- 10 ug/plate
- REFERENCE :
- TCMUD8 Teratogenesis, Carcinogenesis, and Mutagenesis. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.1- 1980- Volume(issue)/page/year: 1,259,1980
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Safety Information
| Hazard Codes | Xn:Harmful; |
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| Risk Phrases | R10;R21/22 |
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| Safety Phrases | S36/37 |
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| RIDADR | UN 1987 3/PG 3 |
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| WGK Germany | 3 |
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| RTECS | EM9275000 |
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| Packaging Group | II |
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| Hazard Class | 3 |
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| HS Code | 2905290000 |
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Customs
| HS Code | 2905290000 |
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| Summary | 2905290000 unsaturated monohydric alcohols。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0% |
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Synonyms
| 1-Hydroxy-2-butene |
| Crotyl alcohol |
| but-2-en-1-ol |
| 2-butenylalcohol |
| 2-Butenol |
| (2E)-2-Buten-1-ol |
| (E)-2-buten-1-ol |
| Krotylalkohol |
| 2-Buten-1-ol, (2E)- |
| CH3CH=CHCH2OH |
| 3-Methylallyl alcohol |
| CROTYL ALCOHOL, (E)- |
| 2-Buten-1-o1 |
| trans-Crotyl Alcohol |
| MFCD00002923 |
| 2-Buten-1-ol |
| trans-2-Buten-1-ol |
| (2E)-But-2-en-1-ol |
| 2-butene-1-ol |
| Crotonyl alcohol |
| MeCHCHCH2OH |
| EINECS 207-996-8 |
| 2-Buten-1-ol, (E)- |
| (E)-but-2-en-1-ol |
| Crotonyl alcoho1 |
