CAS No.580-72-3,MATAIRESINOL Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	580-72-3
Name:	MATAIRESINOL
Article Data:	18

Formula:	C₂₀H₂₂O₆
Molecular Weight:	358.391
Synonyms:	2(3H)-Furanone, dihydro-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]-, (3R-trans)-;(αR,βR)-α,β-Bis(4-hydroxy-3-methoxybenzyl)butyrolactone;3R,4R-Bis((4-hydroxy-3-methoxyphenyl)methyl)dihydro-2(3H)-furanone;Artigenin congener;Dibenzylbutyrolactone lignanolide;
EINECS:	200-258-5
Density:	1.29 g/cm³
Melting Point:	119～120℃
Boiling Point:	593 °C at 760 mmHg
Flash Point:	212.3 °C
Safety:	24/25
PSA:	85.22000
LogP:	2.68940

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Specification

The 2(3H)-Furanone,dihydro-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]-, (3R,4R)-, with the CAS registry number 580-72-3, is also known as Dibenzylbutyrolactone lignanolide. It belongs to the product category of Miscellaneous Natural Products. This chemical's molecular formula is C₂₀H₂₂O₆ and molecular weight is 358.39. What's more, its IUPAC name is (3R,4R)-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one. Its storage temperature is 2-8°C. When you are using this chemical, please be cautious about it. You should avoid contact with skin and eyes.

Physical properties of 2(3H)-Furanone,dihydro-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]-, (3R,4R)- are: (1)ACD/LogP: 1.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.7; (4)ACD/LogD (pH 7.4): 1.69; (5)ACD/BCF (pH 5.5): 11.47; (6)ACD/BCF (pH 7.4): 11.42; (7)ACD/KOC (pH 5.5): 199.59; (8)ACD/KOC (pH 7.4): 198.67; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 63.22 Å²; (13)Index of Refraction: 1.604; (14)Molar Refractivity: 95.63 cm³; (15)Molar Volume: 277.7 cm³; (16)Polarizability: 37.91×10^-24cm³; (17)Surface Tension: 55.3 dyne/cm; (18)Density: 1.29 g/cm³; (19)Flash Point: 212.3 °C; (20)Enthalpy of Vaporization: 91.69 kJ/mol; (21)Boiling Point: 593 °C at 760 mmHg; (22)Vapour Pressure: 1.17E-14 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2OC[C@H](Cc1cc(OC)c(O)cc1)[C@H]2Cc3ccc(O)c(OC)c3
(2)Std. InChI: InChI=1S/C20H22O6/c1-24-18-9-12(3-5-16(18)21)7-14-11-26-20(23)15(14)8-13-4-6-17(22)19(10-13)25-2/h3-6,9-10,14-15,21-22H,7-8,11H2,1-2H3/t14-,15+/m0/s1
(3)Std. InChIKey: MATGKVZWFZHCLI-LSDHHAIUSA-N