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180071-71-0

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Basic Information
CAS No.: 180071-71-0
Name: 5-butyl-2-(2,4-di-tert-butylphenoxy)-5-ethyl-1,3,2-dioxaphosphinane
Molecular Structure:
Molecular Structure of 180071-71-0 (5-butyl-2-(2,4-di-tert-butylphenoxy)-5-ethyl-1,3,2-dioxaphosphinane)
Formula: C23H39O3P
Molecular Weight: 394.53
Synonyms: 2-Butyl-2-ethyl-1,3-propanediol2,4-di-tert-butylphenyl phosphite;
Boiling Point: 406.6 °C at 760 mmHg
Flash Point: 247.2 °C
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Specification

This chemical is called 1,3,2-Dioxaphosphorinane,2-[2,4-bis(1,1-dimethylethyl)phenoxy]-5-butyl-5-ethyl-, and its systematic name is 5-Butyl-2-(2,4-di-tert-butylphenoxy)-5-ethyl-1,3,2-dioxaphosphinane. With the molecular formula of C23H39O3P, its molecular weight is 394.53. The CAS registry number of the chemical is 180071-71-0. 

Other characteristics of 1,3,2-Dioxaphosphorinane,2-[2,4-bis(1,1-dimethylethyl)phenoxy]-5-butyl-5-ethyl- can be summarised as followings: (1)ACD/LogP: 9.10; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.1; (4)ACD/LogD (pH 7.4): 9.1; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 2118869.25; (8)ACD/KOC (pH 7.4): 2118869.25; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 41.28 Å2; (13)Flash Point: 247.2 °C; (14)Enthalpy of Vaporization: 63.28 kJ/mol; (15)Boiling Point: 406.6 °C at 760 mmHg; (16)Vapour Pressure: 1.89E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: CC(C)(C)c2ccc(OP1OCC(CO1)(CC)CCCC)c(c2)C(C)(C)C
2.InChI: InChI=1/C23H39O3P/c1-9-11-14-23(10-2)16-24-27(25-17-23)26-20-13-12-18(21(3,4)5)15-19(20)22(6,7)8/h12-13,15H,9-11,14,16-17H2,1-8H3
3.InChIKey: QVMYIRZGAVKTMG-UHFFFAOYAY
4.Std. InChI: InChI=1S/C23H39O3P/c1-9-11-14-23(10-2)16-24-27(25-17-23)26-20-13-12-18(21(3,4)5)15-19(20)22(6,7)8/h12-13,15H,9-11,14,16-17H2,1-8H3
5.Std. InChIKey: QVMYIRZGAVKTMG-UHFFFAOYSA-N