Product Name

  • Name

    marmesin

  • EINECS
  • CAS No. 13849-08-6
  • Article Data30
  • CAS DataBase
  • Density 1.334g/cm3
  • Solubility
  • Melting Point 189-191℃
  • Formula C14H14 O4
  • Boiling Point 434°Cat760mmHg
  • Molecular Weight 246.263
  • Flash Point 168°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 13849-08-6 (marmesin)
  • Hazard Symbols
  • Synonyms 7H-Furo[3,2-g][1]benzopyran-7-one,2,3-dihydro-2-(1-hydroxy-1-methylethyl)-, (S)-;7H-Furo[3,2-g][1]benzopyran-7-one, 2,3-dihydro-2-(1-hydroxy-1-methylethyl)-,(S)-(+)- (8CI); Marmesin (6CI,7CI); (+)-Marmesin; (S)-Marmesin; NSC 340840;S-(+)-Marmesin
  • PSA 59.67000
  • LogP 1.86740

Marmesin Chemical Properties

Product Name: Marmesin 
CAS Registry Number: 13849-08-6 
Synonyms: (S)-Marmesin ; CCRIS 5728 ; Marmesin ; NSC 340840 
Systematic Name: 7H-Furo(3,2-g)(1)benzopyran-7-one, 2,3-dihydro-2-(1-hydroxy-1-methylethyl)-, (S)-(+)- ; Marmesin 
IUPAC Name: (2S)-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one
Molecular Weight: 246.25856 [g/mol]
Molecular Formula: C14H14O4
XLogP3-AA: 1.9
H-Bond Donor: 1
H-Bond Acceptor: 4
Surface Tension: 55.9 dyne/cm
Density: 1.334 g/cm3
Flash Point: 168 °C
Enthalpy of Vaporization: 72.73 kJ/mol
Boiling Point: 434 °C at 760 mmHg
Vapour Pressure: 2.66E-08 mmHg at 25°C
Following is the molecular structure of Marmesin (CAS NO.13849-08-6) is:

Marmesin Toxicity Data With Reference

1.    

mic-sat 1040 ng/plate

     JTEHD6    Journal of Toxicology and Environmental Health. 13 (1984),521.

Marmesin Safety Profile

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

Marmesin Specification

Descriptors computed from structure, you can know some information about Marmesin (CAS NO.13849-08-6) :
Canonical SMILES: CC(C)(C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O
Isomeric SMILES: CC(C)([C@@H]1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O
InChI: InChI=1S/C14H14O4/c1-14(2,16)12-6-9-5-8-3-4-13(15)18-10(8)7-11(9)17-12/h3-5,7,12,16H,6H2,1-2H3/t12-/m0/s1
InChIKey: FWYSBEAFFPBAQU-LBPRGKRZSA-N
Exact Mass: 246.089209
MonoIsotopic Mass: 246.089209
Topological Polar Surface Area: 55.8
Heavy Atom Count: 18

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