Cas no 78473-71-9 (Enterolactone)

Enterolactone structure
Enterolactone structure
Product Name:Enterolactone
CAS No:78473-71-9
MF:C18H18O4
MW:298.333125591278
MDL:MFCD01861506
CID:563562
PubChem ID:57650263
Update Time:2025-04-19

Enterolactone Chemical and Physical Properties

Names and Identifiers

    • 2(3H)-Furanone,dihydro-3,4-bis[(3-hydroxyphenyl)methyl]-, (3R,4R)-rel-
    • Enterolaktone
    • rac Enterolactone
    • (±)-Enterolactone
    • ENTEROLACTONE
    • ENTEROLACTONE(P) PrintBack
    • trans-α,β-Bis(3-hydroxybenzyl)butyrolactone
    • ENTEROLACTON
    • Enterolakton
    • HPMF
    • trans-3,4-Bis(3-hydroxybenzyl)dihydrofuran-2(3H)-one
    • (+/-)-enterolactone
    • DTXCID6028157
    • 2(3H)-Furanone, dihydro-3,4-bis((3-hydroxyphenyl)methyl)-, trans-
    • (3R,4R)-3,4-bis(3-hydroxybenzyl)dihydrofuran-2(3H)-one
    • (3R,4R)-3,4-bis[(3-hydroxyphenyl)methyl]tetrahydrofuran-2-one
    • Q3055376
    • NCGC00257338-01
    • SCHEMBL121287
    • CHEMBL471475
    • 78473-71-9
    • AKOS040758557
    • HY-108692
    • CAS-78473-71-9
    • FS-6841
    • DTXSID0048183
    • 77756-20-8
    • (3R,4R)-3,4-bis[(3-hydroxyphenyl)methyl]oxolan-2-one
    • Tox21_303555
    • CS-0029984
    • NS00076969
    • SCHEMBL21172433
    • trans-Dihydro-3R,4R-bis[(3-hydroxyphenyl)methyl]-2(3H)-furanone
    • HVDGDHBAMCBBLR-XPCCGILXSA-N
    • Dihydro-3,4-bis((3-hydroxyphenyl)methyl)-2(3H)-Furanone
    • 2,3-Bis(3'-hydroxybenzyl)butyrolactone
    • 3,4-Bis((3-hydroxyphenyl)methyl)dihydro-2-(3H)-furanone
    • Zerumboneoxide
    • 2(3H)-Furanone, dihydro-3,4-bis[(3-hydroxyphenyl)methyl]-,(3R,4R)-rel-
    • DA-73128
    • (-)-Enterolactone
    • Enterolactone
    • MDL: MFCD01861506
    • Inchi: 1S/C18H18O4/c19-15-5-1-3-12(8-15)7-14-11-22-18(21)17(14)10-13-4-2-6-16(20)9-13/h1-6,8-9,14,17,19-20H,7,10-11H2/t14-,17+/m0/s1
    • InChI Key: HVDGDHBAMCBBLR-WMLDXEAASA-N
    • SMILES: O1C([C@H](CC2C=CC=C(C=2)O)[C@@H](CC2C=CC=C(C=2)O)C1)=O

Computed Properties

  • Exact Mass: 298.12100
  • Monoisotopic Mass: 298.121
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 4
  • Complexity: 383
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 66.8A^2
  • XLogP3: 3.3

Experimental Properties

  • Density: 1.298±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 141-143°
  • Boiling Point: 561.4°C at 760 mmHg
  • Flash Point: 209°C
  • Refractive Index: 1.635
  • Solubility: Very slightly soluble (0.16 g/l) (25 o C),
  • PSA: 66.76000
  • LogP: 2.67220

Enterolactone Security Information

  • Symbol: GHS07
  • Signal Word:Warning
  • Hazard Statement: H315-H319-H335
  • Warning Statement: P261-P305+P351+P338
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 36/37/38
  • Safety Instruction: S26; S36
  • Hazardous Material Identification: Xi
  • Storage Condition:2-8°C
  • Safety Term:26-36
  • Risk Phrases:R36/37/38

Enterolactone Pricemore >>

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