2H-1-Benzopyran-2-one,7-hydroxy-3,4-dimethyl- supplier

Name
3,4-DIMETHYLUMBELLIFERONE
EINECS
CAS No. 2107-78-0
Article Data46
CAS DataBase
Density 1.255 g/cm³
Solubility alcohols: soluble
Melting Point 256℃
Formula C₁₁H₁₀O₃
Boiling Point 377.1 °C at 760 mmHg
Molecular Weight 190.199
Flash Point 170.2 °C
Transport Information
Appearance
Safety 22-24/25
Risk Codes 22-24/25
Molecular Structure
Hazard Symbols
Synonyms Coumarin,7-hydroxy-3,4-dimethyl- (7CI,8CI);Umbelliferone, 3,4-dimethyl- (6CI);3,4-Dimethyl-7-hydroxycoumarin;7-Hydroxy-3,4-dimethyl-2-oxo-2H-1-benzopyran;7-Hydroxy-3,4-dimethylcoumarin;
PSA 50.44000
LogP 2.11540

2H-1-Benzopyran-2-one,7-hydroxy-3,4-dimethyl- Specification

The CAS register number of 2H-1-Benzopyran-2-one,7-hydroxy-3,4-dimethyl- is 2107-78-0. It also can be called as 3,4-Dimethyl-7-hydroxycoumarin and the systematic name about this chemical is 7-hydroxy-3,4-dimethyl-2H-chromen-2-one. The molecular formula about this chemical is C₁₁H₁₀O₃ and the molecular weight is 190.2. If you want to use this chemical, do not breathe dust and avoid contact with skin and eyes.

Physical properties about 2H-1-Benzopyran-2-one,7-hydroxy-3,4-dimethyl- are: (1)ACD/LogP: 2.96; (2)#H bond acceptors: 3; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 1; (5)Polar Surface Area: 35.53 Å²; (6)Index of Refraction: 1.589; (7)Molar Refractivity: 51.05 cm³; (8)Molar Volume: 151.4 cm³; (9)Polarizability: 20.24x10^-24cm³; (10)Surface Tension: 45.5 dyne/cm; (11)Density: 1.255 g/cm³; (12)Flash Point: 170.2 °C; (13)Enthalpy of Vaporization: 64.93 kJ/mol; (14)Boiling Point: 377.1 °C at 760 mmHg; (15)Vapour Pressure: 3.19E-06 mmHg at 25 °C.

Preparation: this chemical can be prepared by benzene-1,3-diol and 2-methyl-3-oxo-butyric acid ethyl ester. The yield is about 32%.

2H-1-Benzopyran-2-one,7-hydroxy-3,4-dimethyl- can be prepared by benzene-1,3-diol and 2-methyl-3-oxo-butyric acid ethyl ester.

Uses of 2H-1-Benzopyran-2-one,7-hydroxy-3,4-dimethyl-: it can be used to produce 7-acetoxy-3,4-dimethyl-chromen-2-one with acetic acid anhydride. This reaction will need reagent of sodium acetate. This reaction needs heating. The yield is about 70%.

2H-1-Benzopyran-2-one,7-hydroxy-3,4-dimethyl- can be used to produce 7-acetoxy-3,4-dimethyl-chromen-2-one with acetic acid anhydride.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C/2Oc1cc(O)ccc1\C(=C\2C)C
(2)InChI: InChI=1/C11H10O3/c1-6-7(2)11(13)14-10-5-8(12)3-4-9(6)10/h3-5,12H,1-2H3
(3)InChIKey: QEEXKPYVMOIPKR-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C11H10O3/c1-6-7(2)11(13)14-10-5-8(12)3-4-9(6)10/h3-5,12H,1-2H3
(5)Std. InChIKey: QEEXKPYVMOIPKR-UHFFFAOYSA-N

Product Name

3,4-DIMETHYLUMBELLIFERONE

2H-1-Benzopyran-2-one,7-hydroxy-3,4-dimethyl- Specification

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