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1071-73-4

1071-73-4 Structure

1071-73-4 Structure
IdentificationMore
[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 PropertiesBack 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
[LogP]

-0.570 (est)
[CAS DataBase Reference]

1071-73-4(CAS DataBase Reference)
[NIST Chemistry Reference]

2-Pentanone, 5-hydroxy-(1071-73-4)
Safety DataBack 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
[Toxicity]

LD50 orl-rat: 6400 mg/k TNICS* 13,118,73
Raw materials And Preparation ProductsBack Directory
[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)
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

5-Hydroxy-2-pentanone(1071-73-4).msds
Hazard InformationBack 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.
Spectrum DetailBack Directory
[Spectrum Detail]

3-Acetyl-1-propanol(1071-73-4)MS
3-Acetyl-1-propanol(1071-73-4)1HNMR
3-Acetyl-1-propanol(1071-73-4)13CNMR
3-Acetyl-1-propanol(1071-73-4)IR1
3-Acetyl-1-propanol(1071-73-4)IR2
3-Acetyl-1-propanol(1071-73-4)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

1071-73-4(sigmaaldrich)
[TCI AMERICA]

5-Hydroxy-2-pentanone  (mixture of monomer and dimer),>96.0%(T)(1071-73-4)
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