1,3,2-Dioxaphosphorinane,5,5-dimethyl-2-phenoxy- supplier

Name
5,5-dimethyl-2-phenoxy-1,3,2-dioxaphosphorinane
EINECS 221-291-2
CAS No. 3057-08-7
Article Data9
CAS DataBase
Density
Solubility
Melting Point
Formula C₁₁H₁₅O₃P
Boiling Point 237.9 °C at 760 mmHg
Molecular Weight 226.212
Flash Point 115.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Phosphorousacid, cyclic 2,2-dimethyltrimethylene phenyl ester (6CI,7CI,8CI);1,3-Propanediol, 2,2-dimethyl-, cyclic phenyl phosphite (8CI);2-Phenoxy-5,5-dimethyl-1,3,2-dioxaphosphorinane;5,5-Dimethyl-2-phenoxy-1,3,2-dioxaphosphorinane;Bis(2,2-dimethyl-1,3-propylene) phenyl phosphite;NP 80;NP 80 (heatstabilizer);NSC 77106;Phenyl neopentylene glycol phosphite;
PSA 41.28000
LogP 3.36530

1,3,2-Dioxaphosphorinane,5,5-dimethyl-2-phenoxy- Specification

The 1,3,2-Dioxaphosphorinane,5,5-dimethyl-2-phenoxy-, with the CAS registry number 3057-08-7, is also known as Phosphorous acid, phenyl cyclic (2,2-dimethyltrimethylene) ester. Its EINECS number is 221-291-2. This chemical's molecular formula is C₁₁H₁₅O₃P and molecular weight is 226.21. What's more, its systematic name is 5,5-Dimethyl-2-phenoxy-1,3,2-dioxaphosphinane.

Physical properties of 1,3,2-Dioxaphosphorinane,5,5-dimethyl-2-phenoxy- are: (1)ACD/LogP: 3.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.6; (4)ACD/LogD (pH 7.4): 3.6; (5)ACD/BCF (pH 5.5): 318.15; (6)ACD/BCF (pH 7.4): 318.15; (7)ACD/KOC (pH 5.5): 2152.73; (8)ACD/KOC (pH 7.4): 2152.73; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 41.28 Å² ; (13)Flash Point: 115.2 °C; (14)Enthalpy of Vaporization: 45.55 kJ/mol; (15)Boiling Point: 237.9 °C at 760 mmHg; (16)Vapour Pressure: 0.0674 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-chloro-5,5-dimethyl-[1,3,2]dioxaphosphinane and phenol at the temperature of 0 °C. This reaction will need reagent triethylamine and solvent toluene with the reaction time of 30 min. The yield is about 90%.

1,3,2-Dioxaphosphorinane,5,5-dimethyl-2-phenoxy- can be prepared by 2-chloro-5,5-dimethyl-[1,3,2]dioxaphosphinane and phenol at the temperature of 0 °C

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1ccccc1)P2OCC(CO2)(C)C
(2)InChI: InChI=1S/C11H15O3P/c1-11(2)8-12-15(13-9-11)14-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
(3)InChIKey: JSVDMQKVGLGYCM-UHFFFAOYSA-N

Product Name

5,5-dimethyl-2-phenoxy-1,3,2-dioxaphosphorinane

1,3,2-Dioxaphosphorinane,5,5-dimethyl-2-phenoxy- Specification

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