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41203-81-0

Basic Information
CAS No.: 41203-81-0
Name: (5-Ethyl-2-methyl-1,3,2-dioxaphosphorinan-5-yl)methyl dimethyl phosphonate P-oxide
Article Data: 2
Cas Database
Molecular Structure:
Molecular Structure of 41203-81-0 ((5-Ethyl-2-methyl-1,3,2-dioxaphosphorinan-5-yl)methyl dimethyl phosphonate P-oxide)
Formula: C9H20O6P2
Molecular Weight: 286.202
Synonyms: Phosphonicacid, methyl-, (5-ethyl-2-methyl-1,3,2-dioxaphosphorinan-5-yl)methyl methylester, P-oxide;Phosphonic acid, methyl-,(5-ethyl-2-methyl-2-oxido-1,3,2-dioxaphosphorinan-5-yl)methyl methyl ester(9CI);Methyl(5-ethyl-2-methyl-2-oxido-1,3,2-dioxaphosphorinan-5-yl)methyl methylphosphonate;AC1Q6TAE;AC1L3SDI;Methylphosphonic acid (5-ethyl-2-methyl-2-oxido-1,3,2-dioxaphosphorinan-5-yl)methyl methyl ester;5-Ethyl-5-[[methoxy(methyl)phosphoryl]oxymethyl]-2-methyl-1,3,2λ5-dioxaphosphinane 2-oxide;
EINECS: 255-263-6
Density: 1.21 g/cm3
Melting Point: N/A
Boiling Point: 369.1 °C at 760 mmHg
Flash Point: 190.7 °C
Solubility: N/A
Appearance: N/A
Hazard Symbols: N/A
Risk Codes: N/A
Safety:
Transport Information: N/A
PSA: 90.68000
LogP: 2.73840
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Specification

The (5-Ethyl-2-methyl-1,3,2-dioxaphosphorinan-5-yl)methyl dimethyl phosphonate P-oxide with CAS registry number of 41203-81-0 is also known as Methyl(5-ethyl-2-methyl-2-oxido-1,3,2-dioxaphosphorinan-5-yl)methyl methylphosphonate. The IUPAC name is 5-Ethyl-5-[[methoxy(methyl)phosphoryl]oxymethyl]-2-methyl-1,3,2λ5-dioxaphosphinane 2-oxide. Its EINECS registry number is 255-263-6. In addition, the formula is C9H20O6P2 and the molecular weight is 286.20.

Physical properties about (5-Ethyl-2-methyl-1,3,2-dioxaphosphorinan-5-yl)methyl dimethyl phosphonate P-oxide are: (1)ACD/LogP: -0.51; (2)ACD/LogD (pH 5.5): -0.51; (3)ACD/LogD (pH 7.4): -0.51; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 12.62; (7)ACD/KOC (pH 7.4): 12.62; (8)#H bond acceptors: 6; (9)#Freely Rotating Bonds: 5; (10)Index of Refraction: 1.439; (11)Molar Refractivity: 62.12 cm3; (12)Molar Volume: 236.1 cm3; (13)Surface Tension: 36.7 dyne/cm; (14)Density: 1.21 g/cm3; (15)Flash Point: 190.7 °C; (16)Enthalpy of Vaporization: 59.17 kJ/mol; (17)Boiling Point: 369.1 °C at 760 mmHg; (18)Vapour Pressure: 2.58E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: O=P1(OCC(COP(=O)(OC)C)(CO1)CC)C
2. InChI: InChI=1/C9H20O6P2/c1-5-9(6-13-16(3,10)12-2)7-14-17(4,11)15-8-9/h5-8H2,1-4H3
3. InChIKey: CFIFBLCPLCPITL-UHFFFAOYAS
4. Std. InChI: InChI=1S/C9H20O6P2/c1-5-9(6-13-16(3,10)12-2)7-14-17(4,11)15-8-9/h5-8H2,1-4H3
5. Std. InChIKey: CFIFBLCPLCPITL-UHFFFAOYSA-N