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Home > Encyclopedia > alpha-n-Butyl-beta-hydroxy-delta(sup alpha,beta)-butenolid [German]

alpha-n-Butyl-beta-hydroxy-delta(sup alpha,beta)-butenolid [German]

alpha-n-Butyl-beta-hydroxy-delta(sup alpha,beta)-butenolid [German] structure

alpha-n-Butyl-beta-hydroxy-delta(sup alpha,beta)-butenolid [German] 

structure
  • CAS No:

    78128-80-0

  • Formula:

    C8H12O3

  • Chemical Name:

    alpha-n-Butyl-beta-hydroxy-delta(sup alpha,beta)-butenolid [German]

  • Synonyms:

    BRN 5424714;2(5H)FURANONE, 3-BUTYL-4-HYDROXY-;3-Butyl-4-hydroxy-2(5H)furanone;alpha-n-Butyl-beta-hydroxy-delta(sup alpha,beta)-butenolid [German];alpha-n-Butyl-beta-hydroxy-delta(sup alpha,beta)-butenolid;DTXSID10228778;3-Butyl-4-hydroxy-2(5H)-furanone;ZINC111378258;LS-70333

alpha-n-Butyl-beta-hydroxy-delta(sup alpha,beta)-butenolid [German] Basic Attributes

156.181

156.079

DTXSID10228778

Characteristics

46.5

1.5

1.1280 (rough estimate)

Subcutaneous-mouse LD50: 1750 mg/kg; intravenous-mouse LD50: 1187 mg/kg

Thermal decomposition emits toxic and spicy irritating smoke

Safety Information

Warehouse ventilated, low temperature and dry

Toxicity

moderately toxic

Computed Properties

Molecular Weight:156.18
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:156.078644241
Monoisotopic Mass:156.078644241
Topological Polar Surface Area:46.5
Heavy Atom Count:11
Complexity:194
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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