CAS No.477-43-0,Dehydrocostus lactone Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	477-43-0
Name:	Dehydrocostus lactone
Article Data:	7

Formula:	C₁₅H₁₈O₂
Molecular Weight:	230.307
Synonyms:	Azuleno[4,5-b]furan-2(3H)-one,decahydro-3,6,9-tris(methylene)-, [3aS-(3aa,6aa,9aa,9bb)]-;Costus lactone, dehydro- (6CI,7CI);Guaia-4(15),10(14),11(13)-trien-12-oic acid, 6a-hydroxy-, g-lactone (8CI);(-)-Dehydrocostus lactone;Epiligulyl oxide;(3aS,6aR,9aR,9bS)-Decahydro-3,6,9-tris(methylene)azuleno[4,5-b]furan-2(3H)-one;
Density:	1.09 g/cm³
Melting Point:	57.0 to 61.0 °C
Boiling Point:	383.7 °C at 760 mmHg
Flash Point:	161.2 °C
Hazard Symbols:	Xn
Risk Codes:	R20/21/22; R36/37/38
Safety:	24/25
PSA:	26.30000
LogP:	3.01660

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Specification

The CAS register number of Dehydrocostus lactone is 477-43-0. It also can be called as (3aS,6aR,9aR,9bS)-Decahydro-3,6,9-tris(methylene)azuleno[4,5-b]furan-2(3H)-one and the IUPAC name about this chemical is (3aS,6aR,9aR,9bS)-3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one. The molecular formula about this chemical is C₁₅H₁₈O₂and the molecular weight is 230.30. It belongs to the Heterocycles.

Physical properties about Dehydrocostus lactone are: (1)ACD/LogP: 3.40; (2)ACD/LogD (pH 5.5): 3.4; (3)ACD/LogD (pH 7.4): 3.4; (4)ACD/BCF (pH 5.5): 225.25; (5)ACD/BCF (pH 7.4): 225.25; (6)ACD/KOC (pH 5.5): 1681.32; (7)ACD/KOC (pH 7.4): 1681.32; (8)#H bond acceptors: 2; (9)Polar Surface Area: 26.3Å²; (10)Index of Refraction: 1.536; (11)Molar Refractivity: 65.76 cm³; (12)Molar Volume: 210.8 cm³; (13)Polarizability: 26.06x10^-24cm³; (14)Surface Tension: 35.8 dyne/cm; (15)Enthalpy of Vaporization: 63.23 kJ/mol; (16)Boiling Point: 383.7 °C at 760 mmHg; (17)Vapour Pressure: 4.31E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C/1O[C@H]3[C@H](C\1=C)CCC(=C)\[C@@H]2CC/C(=C)[C@@H]23
(2)InChI: InChI=1/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1
(3)InChIKey: NETSQGRTUNRXEO-XUXIUFHCBX
(4)Std. InChI: InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1
(5)Std. InChIKey: NETSQGRTUNRXEO-XUXIUFHCSA-N