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Name |
Phosphorous acid,bis(2-ethylhexyl) phenyl ester |
EINECS | 221-624-1 |
CAS No. | 3164-60-1 | Density | N/A |
PSA | 41.28000 | LogP | 7.75830 |
Solubility | N/A | Melting Point |
N/A |
Formula | C22H39O3P | Boiling Point | 415.1 °C at 760 mmHg |
Molecular Weight | 382.524 | Flash Point | 253.8 °C |
Transport Information | N/A | Appearance | colorless transparent liquid |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Bis(2-ethylhexyl)phenyl phosphite;Di-2-Ethylhexyl phenyl phosphite;bis(2-ethylhexyl) phenyl phosphite;Bis(2-ethylhexyl) phenyl phosphite;phosphorous acid, bis(2-ethylhexyl) phenyl ester; |
The Phosphorous acid,bis(2-ethylhexyl) phenyl ester, with the CAS registry number 3164-60-1 and EINECS registry number 221-624-1, has the systematic name of bis(2-ethylhexyl) phenyl phosphite. It is a kind of colorless transparent liquid, and the molecular formula of the chemical is C22H39O3P.
The characteristics of Phosphorous acid,bis(2-ethylhexyl) phenyl ester are as followings: (1)ACD/LogP: 11.00; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 11; (4)ACD/LogD (pH 7.4): 11; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 16; (12)Polar Surface Area: 41.28 Å2; (13)Flash Point: 253.8 °C; (14)Enthalpy of Vaporization: 64.22 kJ/mol; (15)Boiling Point: 415.1 °C at 760 mmHg; (16)Vapour Pressure: 1.02E-06 mmHg at 25°C.
Preparation and uses of Phosphorous acid,bis(2-ethylhexyl) phenyl ester: It can be prepared by 2-ethyl hexanol and triphenyl phosphite, and the reaction need the catalyst metal sodium. And it always used as auxiliary chemical inhibitor, and it has good property of anti-disturbance for discoloration effect.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O(P(Oc1ccccc1)OCC(CC)CCCC)CC(CC)CCCC
(2)InChI: InChI=1/C22H39O3P/c1-5-9-14-20(7-3)18-23-26(25-22-16-12-11-13-17-22)24-19-21(8-4)15-10-6-2/h11-13,16-17,20-21H,5-10,14-15,18-19H2,1-4H3
(3)InChIKey: AAQUCXJJDQZZOJ-UHFFFAOYAK