Product Name

  • Name

    7-METHYL-JUGLONE

  • EINECS
  • CAS No. 14787-38-3
  • Article Data2
  • CAS DataBase
  • Density 1.371g/cm3
  • Solubility
  • Melting Point
  • Formula C11H8 O3
  • Boiling Point 427.2°Cat760mmHg
  • Molecular Weight 188.183
  • Flash Point 226.3°C
  • Transport Information
  • Appearance
  • Safety Mutation data reported. When heated to decomposition it emits acrid smoke and irritating vapors.
  • Risk Codes
  • Molecular Structure Molecular Structure of 14787-38-3 (7-METHYL-JUGLONE)
  • Hazard Symbols
  • Synonyms 1,4-Naphthoquinone,5-hydroxy-7-methyl- (8CI); Ramentaceone (6CI);5-Hydroxy-7-methyl-1,4-naphthoquinone; 7-Methyl-5-hydroxy-1,4-naphthoquinone;7-Methyljuglone; NSC 208733; NSC 624625
  • PSA 54.37000
  • LogP 1.63580

Ramentaceone Chemical Properties

Molecule structure of Ramentaceone (CAS NO.14787-38-3):

IUPAC Name: 5-Hydroxy-7-methylnaphthalene-1,4-dione 
Molecular Weight: 188.17942 g/mol
Molecular Formula: C11H8O3 
Density: 1.371 g/cm3 
Boiling Point: 427.2 °C at 760 mmHg 
Flash Point: 226.3 °C
Index of Refraction: 1.642
Molar Refractivity: 49.61 cm3
Molar Volume: 137.2 cm3
Polarizability: 19.66×10-24 cm3
Surface Tension: 61.2 dyne/cm 
Enthalpy of Vaporization: 70.86 kJ/mol
Vapour Pressure: 6.68E-08 mmHg at 25 °C
XLogP3: 2.3
H-Bond Donor: 1
H-Bond Acceptor: 3
Tautomer Count: 12
Exact Mass: 188.047344
MonoIsotopic Mass: 188.047344
Topological Polar Surface Area: 54.4
Heavy Atom Count: 14
Complexity: 306
Canonical SMILES: CC1=CC(=C2C(=O)C=CC(=O)C2=C1)O
InChI: InChI=1S/C11H8O3/c1-6-4-7-8(12)2-3-9(13)11(7)10(14)5-6/h2-5,14H,1H3
InChIKey of Ramentaceone (CAS NO.14787-38-3): OZUSCVSONBBWOR-UHFFFAOYSA-N

Ramentaceone Toxicity Data With Reference

1.    

mic-sat 50 µLg/plate

     MUREAV    Mutation Research. 124 (1983),25.

Ramentaceone Safety Profile

Mutation data reported. When heated to decomposition it emits acrid smoke and irritating vapors.

Ramentaceone Specification

 Ramentaceone (CAS NO.14787-38-3) is also named as 4-08-00-02374 (Beilstein Handbook Reference) ; 5-Hydroxy-7-methyl-1,4-naphthalenedione ; 5-Hydroxy-7-methyl-1,4-naphthoquinone ; 7-Methyljuglon ; 7-Methyljuglone ; BRN 2047829 ; JUGLONE, 7-METHYL- ; NSC 208733 ; NSC 624625 ; Ramentaceone (6CI) ; 1,4-Naphthalenedione, 5-hydroxy-7-methyl- (9CI) ; 1,4-Naphthoquinone, 5-hydroxy-7-methyl- .

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