Coumarin

C₉H₆O₂

IUPAC: 2H-Chromen-2-one

CAS: 91-64-5

Overview

Coumarin gives freshly cut hay and tonka beans their sweet vanilla-like scent. It is used in perfumery and as a precursor to anticoagulant drugs.

Composition

Element Symbol Atoms Atomic Mass
Hydrogen H 6 1.0080
Carbon C 9 12.0110
Oxygen O 2 15.9990

Elemental Composition

H
Hydrogen ×6
4.1%
C
Carbon ×9
74.0%
O
Oxygen ×2
21.9%

Uses

  • • Perfumery
  • • Flavor enhancer
  • • Rodenticide precursor (warfarin)
  • • Laser dye

Fun Facts

  • ✦ Warfarin, the most widely used anticoagulant, was developed from a coumarin derivative

Safety

  • ⚠ Hepatotoxic at high doses
  • ⚠ Banned as food additive in US

Structure

SMILES

C1=CC=C2C(=C1)C=CC(=O)O2

Properties

Type
organic
State
solid
Molar Mass
146.14 g/mol
Density
0.9350 g/cm³
Melting Point
71.0 °C
Boiling Point
301.8 °C
Solubility
1.7 g/L at 20°C

Molecular Descriptors

Exact Mass
146.0368
XLogP
1.4
TPSA
26.3 Ų
H-Bond Donors
0
H-Bond Acceptors
2
Rotatable Bonds
0
Heavy Atoms
11
Complexity
196.0

Related Compounds

1,2-Dichloroethane

C₂H₄Cl₂

1,3-Butadiene

C₄H₆

1,4-Dioxane

C₄H₈O₂

1-Butanol

C₄H₁₀O

2-Propanol

C₃H₈O

Acetaldehyde

CH₃CHO

Acetamide

C₂H₅NO

Acetic Anhydride

C₄H₆O₃

Acetone

(CH₃)₂CO

Acetonitrile

C₂H₃N

Frequently Asked Questions

What is Coumarin?
Coumarin (C₉H₆O₂) is a organic compound with the IUPAC name 2H-Chromen-2-one.
What is the molecular weight of Coumarin?
Coumarin has a molar mass of 146.14 g/mol.
What state is Coumarin at room temperature?
Coumarin is a solid at room temperature.
Is Coumarin organic or inorganic?
Coumarin is classified as an organic compound.
What elements make up Coumarin?
Coumarin (C₉H₆O₂) is composed of Hydrogen (H), Carbon (C), Oxygen (O).