(3R)-3-Hydroxy-7-methyl-3H-isobenzofuran-1-one supplier

Name
3-hydroxy-7-methyl-2-benzofuran-1(3H)-one
EINECS
CAS No. 63113-01-9
Article Data3
CAS DataBase
Density 1.375 g/cm³
Solubility
Melting Point
Formula C₉H₈O₃
Boiling Point 378.1 °C at 760 mmHg
Molecular Weight 164.16
Flash Point 177.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (3R)-3-Hydroxy-7-methyl-2-benzofuran-1(3H)-one;
PSA
LogP

(3R)-3-Hydroxy-7-methyl-3H-isobenzofuran-1-one Specification

The IUPAC name of this chemical is (3R)-3-Hydroxy-7-methyl-3H-isobenzofuran-1-one. With the CAS registry number 63113-01-9, it is also named as (3R)-3-hydroxy-7-methyl-2-benzofuran-1(3H)-one. In addition, the molecular formula is C₉H₈O₃ and the molecular weight is 164.16. What's more, it should be stored in sealed container, and put in a cool and dry place.

Physical properties about this chemical are: (1)ACD/LogP: 1.18; (2)ACD/LogD (pH 5.5): 1.18; (3)ACD/LogD (pH 7.4): 1.18; (4)ACD/BCF (pH 5.5): 4.66; (5)ACD/BCF (pH 7.4): 4.66; (6)ACD/KOC (pH 5.5): 104.67; (7)ACD/KOC (pH 7.4): 104.64; (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: 1.62; (13)Molar Refractivity: 41.96 cm³; (14)Molar Volume: 119.3 cm³; (15)Polarizability: 16.63 ×10^-24cm³; (16)Surface Tension: 59.3 dyne/cm; (17)Density: 1.375 g/cm³; (18)Flash Point: 177.7 °C; (19)Enthalpy of Vaporization: 66.03 kJ/mol; (20)Boiling Point: 378.1 °C at 760 mmHg; (21)Vapour Pressure: 2.18E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1O[C@@H](O)c2cccc(c12)C
(2)InChI: InChI=1/C9H8O3/c1-5-3-2-4-6-7(5)9(11)12-8(6)10/h2-4,8,10H,1H3/t8-/m1/s1
(3)InChIKey: LAAXOAGMCJHXLC-MRVPVSSYBU

Product Name

3-hydroxy-7-methyl-2-benzofuran-1(3H)-one

(3R)-3-Hydroxy-7-methyl-3H-isobenzofuran-1-one Specification

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