2-COUMARANONE Chemical Properties

Melting point:

49-51 °C(lit.)

Boiling point:

248-250 °C(lit.)

Density 

1,22 g/cm³

vapor pressure 

0.027-0.24Pa at 10-30℃

refractive index 

1.4800 (estimate)

Flash point:

>230 °F

storage temp. 

Sealed in dry,Room Temperature

solubility 

H2O: soluble3.8g/L at 30°C

form 

Crystalline Powder or Crystals

color 

White to yellow-orange

BRN 

114689

InChIKey

ACZGCWSMSTYWDQ-UHFFFAOYSA-N

LogP

1.347

Surface tension

63.8mN/m at 1g/L and 20℃

CAS DataBase Reference

553-86-6(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xn,Xi

Risk Statements 

20/21/22-36/37/38-43-36/38

Safety Statements 

24/25-36-26-36/37

WGK Germany 

3

HS Code 

29322090

MSDS

• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

2-COUMARANONE Usage And Synthesis

Description

2-Coumaranone (also named as Isophthalide, 3H-benzofuran-2-one) belongs to a class of organic compounds named as benzofuranones which exhibits mutagenic and carcinogenic activity. 2-Coumaranone has been used to study the effects of coumarins on 7,12-dimethyibenz(a)anthracene induced neoplasia of the rat mammary gland and as probe for detecting enzymes which hydrolyze 2-hydroxybenzofuran structures.

Reference

Y. S. Priya, K. Ramachandra Rao, P. V. Chalapathi, M. Satyavani, A. Veeraiah, Vibrational and UV spectroscopic studies of 2-coumaranone by experimental and density functional theory calculations, Journal of Molecular Structure, 2017, vol. 1144, pp. 535-544

Chemical Properties

WHITE TO LIGHT YELLOW CRYSTALLINE POWDER

Uses

2-Coumaranone has been used to study the effects of coumarins on 7,12-dimethyibenz(a)anthracene induced neoplasia of the rat mammary gland. It was employed as probe for detecting enzymes which hydrolyze 2-hydroxybenzofuran structures.

Synthesis Reference(s)

The Journal of Organic Chemistry, 47, p. 2491, 1982 DOI: 10.1021/jo00133a055

2-COUMARANONE(553-86-6)Related Product Information

• 3-(Methoxymethylene)-2(3H)-benzofuranone
• FLUORESCEINYL GABAZINE, BROMIDE
• 5-HYDROXY-2-COUMARANONE
• Amolanone
• 2-COUMARANONE
• 6-HYDROXY-3-COUMARANONE
• BENZOFURAN-3(2H)-ONE, 3-COUMARANONE,COUMARANONE,3-Coumaranone(3(2H)-Benzofuranone),3-COUMARANONE
• 2H-BEZOFURAN-3-ONE 3-COUMARANONE
• 2-Carboethoxy-3-coumaranone,2-ETHOXYCARBONYL-3-COUMARANONE
• ETHOFUMESATE-2-KETO
• 2,3-DIOXY-6-METHOXYBENZOFURAN
• NAPHTHO[2,1-B]FURAN-2(1H)-ONE
• 4-SPIRO-[3-COUMARANONE] PIPERIDINE HYDROCHLORIDE
• OXYPEUCEDANIN
• 3-BROMO-2-COUMARANONE
• Clofurac
• AKOS BC-0022
• 5-Benzofuranacetic acid, 2,3-dihydro-2-oxo-3-phenyl-, methyl ester