5-(Acetyloxy)-3-chloro-2-pentanone
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5-(Acetyloxy)-3-chloro-2-pentanone
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CAS No:
13051-49-5
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Formula:
C7H11ClO3
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Chemical Name:
5-(Acetyloxy)-3-chloro-2-pentanone
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Synonyms:
2-Pentanone,5-(acetyloxy)-3-chloro-;2-Pentanone,3-chloro-5-hydroxy-,acetate;5-(Acetyloxy)-3-chloro-2-pentanone;5-Acetoxy-3-chloro-2-pentanone;3-Chloro-4-oxopentyl acetate;3-Chloro-5-acetoxy-2-pentanone;3-Chloro-3-acetopropyl acetate;119867-66-2;1012795-35-5
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CAS No:
Characteristics
43.4
1.13600
1.165 g/cm3 @ Temp: 20 °C
90-93 °C @ Press: 2 Torr
95℃
1.438
0.0565mmHg at 25°C
Safety Information
P234, P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P390, P403+P233, P404, P405, P501
H290
|Warning|H290 (100%): May be corrosive to metals [Warning Corrosive to Metals]|P234, P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P390, P403+P233, P404, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
5-(Acetyloxy)-3-chloro-2-pentanone Use and Manufacturing
Use α-methylfuran to catalyze hydrogenation with palladium chloride to generate γ-levulinyl alcohol, then esterify with acetic anhydride to obtain γ-levulinyl acetate, and then chlorinate it to obtain the product.
Intermediate of vitamin B1.
Computed Properties
Molecular Weight:178.61
XLogP3:0.9
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:178.0396719
Monoisotopic Mass:178.0396719
Topological Polar Surface Area:43.4
Heavy Atom Count:11
Complexity:156
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
5-(Acetyloxy)-3-chloro-2-pentanone
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