| Identification | More | [Name]
3-Acetyl-1-propanol | [CAS]
1071-73-4 | [Synonyms]
1-PENTANOL-4-ONE
3-Acetyl-1-piopanol
3-ACETYL-1-PROPANOL
5-HYDROXY-2-PENTANONE
5-HYDROXYPENTAN-2-ONE
5-HYDROXYPENTANE-2-ONE
TRIMETHYLENEACETYLHYDRIN
3-Acetopropanol
3-Acetopropylalcohol
3-acetyl-propano
3-Acetylpropanol
4-Oxo-1-pentanol
-Acetopropanol
Acetopropyl alcohol
acetopropylalcohol
-Acetylpropanol
gamma-Acetopropanol
gamma-Acetopropyl alcohol
gamma-Acetylpropyl alcohol
Propanol, 3-acetyl- | [EINECS(EC#)]
213-994-8 | [Molecular Formula]
C5H10O2 | [MDL Number]
MFCD00002961 | [Molecular Weight]
102.13 | [MOL File]
1071-73-4.mol |
| Chemical Properties | Back Directory | [Appearance]
clear colorless liquid | [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 | [form ]
Liquid | [pka]
14.89±0.10(Predicted) | [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 Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [WGK Germany ]
2
| [RTECS ]
UA4600000
| [HS Code ]
29144000 | [Storage Class]
10 - Combustible liquids | [Toxicity]
LD50 orl-rat: 6400 mg/k TNICS* 13,118,73 |
| Hazard Information | Back Directory | [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. |
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