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Pantothenyl ethyl ether

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  • Name Pantothenyl ethyl ether
  • EINECS211-569-1
  • CAS No. 667-83-4
  • Density1.07 g/cm3
  • PSA78.79000
  • LogP0.29950
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC11H23NO4
  • Boiling Point443.8 °C at 760 mmHg
  • Molecular Weight233.30
  • Flash Point222.2 °C
  • Transport InformationN/A
  • AppearanceColorless to pale yellow viscous clear liquid
  • Safety23-24/25
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 667-83-4 (Pantothenyl ethyl ether)
  • Hazard SymbolsN/A
  • SynonymsN/A

Pantothenyl ethyl ether Specification

This chemical is called Panthenyl ethyl ether, and its CAS registry number is 667-83-4. With the molecular formula of C11H23NO4, its molecular weight is 233.30.

Other characteristics of the Panthenyl ethyl ether can be summarised as followings: (1)ACD/LogP: 0.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.21; (4)ACD/LogD (pH 7.4): 0.21; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 31.01; (8)ACD/KOC (pH 7.4): 31.01; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 48 Å2; (13)Index of Refraction: 1.475; (14)Molar Refractivity: 61.37 cm3; (15)Molar Volume: 217.8 cm3; (16)Polarizability: 24.33×10-24cm3; (17)Surface Tension: 40.1 dyne/cm; (18)Density: 1.07 g/cm3; (19)Flash Point: 222.2 °C; (20)Enthalpy of Vaporization: 80.95 kJ/mol; (21)Boiling Point: 443.8 °C at 760 mmHg; (22)Vapour Pressure: 9.7E-10 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: Don't breathe vapor. Avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(NCCCOCC)C(O)C(C)(C)CO
2.InChI: InChI=1/C11H23NO4/c1-4-16-7-5-6-12-10(15)9(14)11(2,3)8-13/h9,13-14H,4-8H2,1-3H3,(H,12,15)
3.InChIKey:MRAMPOPITCOOIN-UHFFFAOYAK

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