CAS No.4115-76-8,7-HYDROXY-4,8-DIMETHYLCOUMARIN Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4115-76-8
Name:	7-HYDROXY-4,8-DIMETHYLCOUMARIN
Article Data:	70

Formula:	C₁₁H₁₀O₃
Molecular Weight:	190.199
Synonyms:	Coumarin,7-hydroxy-4,8-dimethyl- (7CI,8CI);Umbelliferone, 4,8-dimethyl- (6CI);4,8-Dimethyl-7-hydroxycoumarin;4,8-Dimethylumbelliferone;7-Hydroxy-4,8-dimethyl-2H-1-benzopyran-2-one;7-Hydroxy-4,8-dimethylcoumarin;NSC 62131;
Density:	1.269 g/cm³
Boiling Point:	375 °C at 760 mmHg
Flash Point:	169.2 °C
PSA:	50.44000
LogP:	2.11540

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Specification

The CAS register number of 2H-1-Benzopyran-2-one,7-hydroxy-4,8-dimethyl- is 4115-76-8. It also can be called as 4,8-Dimethylumbelliferone and the IUPAC name about this chemical is 7-hydroxy-4,8-dimethylchromen-2-one. The molecular formula about this chemical is C₁₁H₁₀O₃ and the molecular weight is 190.1986.

Physical properties about 2H-1-Benzopyran-2-one,7-hydroxy-4,8-dimethyl- are: (1)ACD/LogP: 2.83; (2)ACD/LogD (pH 5.5): 2.82; (3)ACD/LogD (pH 7.4): 2.78; (4)ACD/BCF (pH 5.5): 82.56; (5)ACD/BCF (pH 7.4): 74.54; (6)ACD/KOC (pH 5.5): 819.35; (7)ACD/KOC (pH 7.4): 739.71; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 35.53 Å²; (12)Index of Refraction: 1.599; (13)Molar Refractivity: 51.17 cm³; (14)Molar Volume: 149.7 cm³; (15)Polarizability: 20.28x10^-24cm³; (16)Surface Tension: 48.5 dyne/cm; (17)Density: 1.269 g/cm³; (18)Flash Point: 169.2 °C; (19)Enthalpy of Vaporization: 64.69 kJ/mol; (20)Boiling Point: 375 °C at 760 mmHg; (21)Vapour Pressure: 3.71E-06 mmHg at 25 °C.

Preparation: this chemical can be prepared by acetoacetic acid ethyl ester and 2-methyl-benzene-1,3-diol. This reaction will need reagent of concentrated sulfuric acid.

2H-1-Benzopyran-2-one,7-hydroxy-4,8-dimethyl- can be prepared by acetoacetic acid ethyl ester and 2-methyl-benzene-1,3-diol.

Uses of 2H-1-Benzopyran-2-one,7-hydroxy-4,8-dimethyl-: it can be used to produce 7-(2-chloro-allyloxy)-4,8-dimethyl-chromen-2-one with 2,3-dichloro-propene. This reaction will need reagent of and solvent of acetone. This reaction needs heating and the reaction time is 24 hours. The yield is about 77%.

2H-1-Benzopyran-2-one,7-hydroxy-4,8-dimethyl- can be used to produce 7-(2-chloro-allyloxy)-4,8-dimethyl-chromen-2-one with 2,3-dichloro-propene.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C/2Oc1c(c(O)ccc1\C(=C\2)C)C
(2)InChI: InChI=1/C11H10O3/c1-6-5-10(13)14-11-7(2)9(12)4-3-8(6)11/h3-5,12H,1-2H3
(3)InChIKey: MVMMGVPSTRNMSV-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C11H10O3/c1-6-5-10(13)14-11-7(2)9(12)4-3-8(6)11/h3-5,12H,1-2H3
(5)Std. InChIKey: MVMMGVPSTRNMSV-UHFFFAOYSA-N