Basic information
- Name:
4-Hydroxycoumarin
- CAS No.:
1076-38-6
- Molecular Structure:
- Formula:
- C9H6O3
- Molecular Weight:
- 162.14
- Synonyms:
- 4-Hydroxy-2H-1-benzopyran-2-one;Benzotetronic acid;2H-1-Benzopyran-2-one,4-hydroxy-;Coumarin, 4-hydroxy-;4-Coumarinol;2-hydroxychromen-4-one;Coumarin, 4-hydroxy- (8CI);2H-1-Benzopyran-2-one, 4-hydroxy-;
- EINECS:
- 214-060-2
- Density:
- 1.446 g/cm3
- Melting Point:
- 210-215 ºC
- Boiling Point:
- 352.41 ºC at 760 mmHg
- Flash Point:
- 165.353 ºC
- Solubility:
- practically insoluble in water
- Appearance:
- Yellow powder or chunks
- Hazard Symbols:
Xn,
Xi- Risk Codes:
- 22-36/37/38
- Safety Description:
- 26-36 Details
- particular:
- particular
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Chemistry
The Molecular Structure of 4-Hydroxycoumarin (CAS NO.1076-38-6):
Empirical Formula: C9H6O3
Molecular Weight: 162.1421
IUPAC Name: 2-hydroxychromen-4-one
Appearance: Yellow powder or chunks
Nominal Mass: 162 Da
Average Mass: 162.1421 Da
Monoisotopic Mass: 162.031694 Da
Index of Refraction: 1.66
Molar Refractivity: 41.353 cm3
Molar Volume: 112.076 cm3
Surface Tension: 65.563 dyne/cm
Density: 1.447 g/cm3
Flash Point: 165.353 °C
Enthalpy of Vaporization: 63.022 kJ/mol
Boiling Point: 352.41 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
Water Solubility: practically insolubleInChI
InChI=1/C9H6O3/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5,10H
Smiles
c12c(oc(=O)cc1O)cccc2
Product Categories: FINE Chemical & INTERMEDIATES;Coumarins;Coumarin
Synonyms: 4-hydroxy-2h-1-benzopyran-2-on ; 4-hydroxy coumarin ; 4-hydroxycoumarin ; 4-Hydroxy-2H-1-benzopyran-2-one ; Benzotertonic acid
Uses
4-Hydroxycoumarin (CAS NO.1076-38-6) can be used as intermediates of pharmaceutical and pesticide, and it also is a kind of spices, coumarin distributed widely in plant kingdom.
Toxicity Data With Reference
| 1. | orl-mus LD50:2 g/kg | MPHEAE Medicina et Pharmacologia Experimentalis. 17 (1967),497. | ||
| 2. | ipr-mus LD50:2000 mg/kg | APTOA6 Acta Pharmacologica et Toxicologica. 2 (1946),109. | ||
| 3. | scu-mus LD50:750 mg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 128 (1960),126. |
Moderately toxic by ingestion, subcutaneous, and intraperitoneal routes. When heated to decomposition it emits acrid smoke and fumes.
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Hazard Codes: 
Xn
Xi
Risk Statements: 22-36/37/38
R22: Harmful if swallowed
R36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection
WGK Germany: 3
RTECS: DJ3100000
Hazard Note: Irritant
