Introduction：Basic information about 3-Acetyl-1-propanol CAS 1071-73-4, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
3-Acetyl-1-propanol Basic information
| Product Name: | 3-Acetyl-1-propanol |
| Synonyms: | 4-Oxo-1-pentanol;-Acetopropanol;Acetopropyl alcohol;acetopropylalcohol;-Acetylpropanol;gamma-Acetopropanol;gamma-Acetopropyl alcohol;gamma-Acetylpropyl alcohol |
| CAS: | 1071-73-4 |
| MF: | C5H10O2 |
| MW: | 102.13 |
| EINECS: | 213-994-8 |
| Product Categories: | straight chain compounds |
| Mol File: | 1071-73-4.mol |
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3-Acetyl-1-propanol Chemical Properties
| Melting point | 2.5°C (estimate) |
| Boiling point | 144-145 °C/100 mmHg (lit.) |
| density | 1.007 g/mL at 25 °C (lit.) |
| refractive index | n20/D 1.437(lit.) |
| Fp | 200 °F |
| storage temp. | 2-8°C |
| pka | 14.89±0.10(Predicted) |
| form | Liquid |
| color | Colorless to Light yellow to Light orange |
| InChI | InChI=1S/C5H10O2/c1-5(7)3-2-4-6/h6H,2-4H2,1H3 |
| InChIKey | JSHPTIGHEWEXRW-UHFFFAOYSA-N |
| SMILES | CC(=O)CCCO |
| LogP | -0.570 (est) |
| CAS DataBase Reference | 1071-73-4(CAS DataBase Reference) |
| NIST Chemistry Reference | 2-Pentanone, 5-hydroxy-(1071-73-4) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 37/39-26 |
| WGK Germany | 2 |
| RTECS | UA4600000 |
| HS Code | 29144000 |
| Storage Class | 10 - Combustible liquids |
| Toxicity | LD50 orl-rat: 6400 mg/k TNICS* 13,118,73 |
3-Acetyl-1-propanol Usage And Synthesis
| Chemical Properties | clear colorless liquid |
| Uses | 3-Acetopropanol is a substrate for alcohol dehydrogenase and is an intermediate in the synthesis of Didesethyl Chloroquine (D440960), a metabolite of Chloroquine. |
| Synthesis Reference(s) | Journal of the American Chemical Society, 75, p. 4456, 1953 DOI: 10.1021/ja01114a018
Tetrahedron Letters, 26, p. 5713, 1985 DOI: 10.1016/S0040-4039(01)80928-X |
| Safety Profile | Moderately toxic by ingestion andinhalation. When heated to decomposition it emits acridsmoke. |
3-Acetyl-1-propanol Preparation Products And Raw materials
| Raw materials | Sodium hydroxide-->Aluminum oxide-->Palladium chloride-->Gamma Butyrolactone-->2-Methylfuran-->PALLADIUM-CATALYSTS-->2-Methyltetrahydrofuran-->Nitrohydrochloric acid-->4-Pentyn-1-ol |
| Preparation Products | 2-Methyltetrahydrofuran-->2-chloro-3-oxopentyl acetate-->THIOTHIAMINE-->5-Diethylamino-2-pentanone-->4-OXOPENTYL ACETATE-->5-BROMO-PENTAN-2-ONE-->2-Methyltetrahydrofuran-3-thiol-->4-aminopentan-1-ol-->1,4-PENTANEDIOL-->4,4'-Azobis(4-cyano-1-pentanol) |
