2,5-Dihydroxy-3-undecyl-1,4-benzoquinone | CAS No. 550-24-3

2,5-Dihydroxy-3-undecyl-1,4-benzoquinone

Basic Information

CAS Number

550-24-3

Molecular Formula

C17H26O4

Molecular Weight

294.39 g/mol

AD

Basic Physical Properties

Physical State

Powder

Melting Point

145-146 ºC

Boiling Point

431.9°C at 760 mmHg

Flash Point

229.1±25.2 °C

Solubility

DMSO: >10 mg/mL

Refractive Index

1.4230 (estimate)

CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O

InChI

InChI=1S/C17H26O4/c1-2-3-4-5-6-7-8-9-10-11-13-16(20)14(18)12-15(19)17(13)21/h12,18,21H,2-11H2,1H3

InChIKey

IRSFLDGTOHBADP-UHFFFAOYSA-N

LogP

4.313100000000004

Topological Polar Surface Area

74.6 Ų

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

432

Safety Information

View Safety Information

GHS Hazard Pictograms

H302H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Storage Conditions

2-8℃

Synonyms & References

English

  • AKOS016010144
  • Embelin, >=98% (HPLC), powder
  • NSC 91874
  • 2,5-Cyclohexadiene-1,4-dione, 2,5-dihydroxy-3-undecyl-
  • KBio1_001541
  • SPECTRUM1504074
  • 550-24-3
  • HMS3268N13
  • KBio2_001993
  • KBio2_004561
  • NCGC00017248-04
  • SCHEMBL148744
  • NCGC00017248-08
  • Embelic acid
  • NCI60_042031
  • Embelic acid; Emberine; NSC 91874; NSC91874; NSC 91874
  • CHEMBL221137
  • Spectrum_001513
  • UNII-SHC6U8F5ER
  • SMR000470851
  • DivK1c_006597
  • 2,5-Dihydroxy-3-undecyl-[1,4]benzoquinone
  • Spectrum3_001931
  • EINECS 208-979-8
  • Spectrum5_000620
  • CS-1879
  • SDCCGMLS-0066817.P001
  • Embeliaquinone
  • KBio3_002783
  • NCGC00017248-02
  • HMS3652J16

MDL Number

MFCD00016369

Customs Code

2914690090

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