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| | Crotonyl alcohol Basic information |
| | Crotonyl alcohol Chemical Properties |
| Melting point | -91.3°C (estimate) | | Boiling point | 121-122 °C(lit.) | | density | 0.845 g/mL at 25 °C(lit.) | | refractive index | n20/D 1.427(lit.) | | Fp | 37 °C | | storage temp. | Flammables area | | solubility | Chloroform (Sparingly), DMSO (Slightly), Methanol (Slightly) | | form | clear liquid | | pka | 14.70±0.10(Predicted) | | color | Colorless to Almost colorless | | Water Solubility | Miscible with water. | | Merck | 14,2601 | | BRN | 1719374 | | Henry's Law Constant | 3.1×100 mol/(m3Pa) at 25℃, Raventos-Duran et al. (2010) | | InChI | 1S/C4H8O/c1-2-3-4-5/h2-3,5H,4H2,1H3/b3-2+ | | InChIKey | WCASXYBKJHWFMY-NSCUHMNNSA-N | | SMILES | C\C=C\CO | | LogP | 0.636 (est) | | CAS DataBase Reference | 6117-91-5(CAS DataBase Reference) | | NIST Chemistry Reference | 2-Buten-1-ol(6117-91-5) | | EPA Substance Registry System | 2-Buten-1-ol (6117-91-5) |
| Hazard Codes | Xn,F | | Risk Statements | 10-21/22 | | Safety Statements | 36/37 | | RIDADR | UN 1987 3/PG 3 | | WGK Germany | 3 | | RTECS | EM9275000 | | Hazard Note | Harmful/Highly Flammable | | TSCA | TSCA listed | | HazardClass | 3 | | PackingGroup | II | | HS Code | 29052900 | | Storage Class | 3 - Flammable liquids | | Hazard Classifications | Acute Tox. 4 Dermal
Acute Tox. 4 Oral
Flam. Liq. 3 | | Toxicity | LD50 orally in rats: 0.93 ml/kg (Smyth) |
| | Crotonyl alcohol Usage And Synthesis |
| Chemical Properties | Clear light yellow liquid | | Uses | Chemical intermediate, source of monomers,
herbicide, and soil fumigant. | | Uses | Crotyl alcohol can be used as a starting material in the synthesis of antitumor agents such as 14-azacamptothecin and 10, 11-methylenedioxy-14-azacamptothecin. It can also be used as a precursor in the total synthesis of discodermolide. | | Definition | ChEBI: A primary alcohol in which the hydroxy function is bonded to a CH3CH2CHCH21 (crotyl) group. | | Hazard | Toxic by ingestion, strong eye and skin
irritant. Moderate fire risk. | | Safety Profile | Moderately toxic by
ingestion and skin contact. Mutation data
reported. Dangerous fire hazard when
exposed to heat or flame; can react with
oxidizing materials. To fight fire, use alcohol
foam, CO2, dry chemical. When heated to
decomposition it emits acrid smoke and
fumes. See also ALCOHOLS. |
| | Crotonyl alcohol Preparation Products And Raw materials |
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