Product Name

  • Name

    botryodiplodin

  • EINECS
  • CAS No. 27098-03-9
  • Article Data2
  • CAS DataBase
  • Density 1.126g/cm3
  • Solubility
  • Melting Point 51°C
  • Formula C7H12 O3
  • Boiling Point 249.4°Cat760mmHg
  • Molecular Weight 144.17
  • Flash Point 101.4°C
  • Transport Information
  • Appearance
  • Safety A poison. Human mutation data reported. A flammable liquid. When heated to decomposition it emits acrid smoke and fumes. See also KETONES.
  • Risk Codes
  • Molecular Structure Molecular Structure of 27098-03-9 (botryodiplodin)
  • Hazard Symbols
  • Synonyms Ketone,methyl tetrahydro-5-hydroxy-4-methyl-3-furyl (8CI);(-)-Botryodiplodin;Antibiotic PSX 1;Botryodiplodin;Cytostipin;NSC 114342;NSC 157390;
  • PSA 46.53000
  • LogP 0.17630

Botryodiplodin Chemical Properties

IUPAC Name:  1-(5-Hydroxy-4-methyloxolan-3-yl)ethanone 
Synonyms of Botryodiplodin (CAS NO:27098-03-9): 1-(Tetrahydro-5-hydroxy-4-methyl-3-furanyl)ethanone ; 2-Hydroxy-3-methyl-4-acetyltetrahydrofurane ; Antibiotic PSX 1 ; BRN 2935786 ; Cytostipin ; Methyltetrahydro-5-hydroxy-4-methyl-3-furyl-ketone ; NSC 114342 ; 2-Hydroxy-3-methyl-4-acetyltetrahydrofuran ; Ethanone, 1-(tetrahydro-5-hydroxy-4-methyl-3-furanyl)- (9CI) ; Ketone, methyl tetrahydro-5-hydroxy-4-methyl-3-furyl 
CAS NO: 27098-03-9
Molecular Formula of Botryodiplodin (CAS NO:27098-03-9): C7H12O3 
Molecular Weight: 144.1684  
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 2
Polar Surface Area: 46.53 Å2
Index of Refraction: 1.467
Molar Refractivity: 35.55 cm3
Molar Volume: 127.9 cm3 
Surface Tension: 37.7 dyne/cm
Density: 1.126 g/cm3
Flash Point: 101.4 °C
Enthalpy of Vaporization: 56.53 kJ/mol
Boiling Point: 249.4 °C at 760 mmHg
Vapour Pressure: 0.00369 mmHg at 25°C
Molecular Structure:

Botryodiplodin Uses

 Botryodiplodin (CAS NO:27098-03-9) is used as flammable liquids.

Botryodiplodin Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported 40mg/kg (40mg/kg)   Environmental Mutagenesis. Vol. 3, Pg. 287, 1981.

Botryodiplodin Safety Profile

A poison. Human mutation data reported. A flammable liquid. When heated to decomposition it emits acrid smoke and fumes. See also KETONES.

Botryodiplodin Standards and Recommendations

DOT Classification:  3; Label: Flammable Liquid

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