2-Octanol, 1,1'-oxybis- supplier

Name
1,1'-oxydioctan-2-ol
EINECS 244-624-3
CAS No. 21875-81-0
Density 0.931g/cm³
Solubility
Melting Point
Formula C₁₆H₃₄O₃
Boiling Point 392.8 °C at 760 mmHg
Molecular Weight 274.43936
Flash Point 191.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Octanol,1,1'-oxydi- (8CI);
PSA 49.69000
LogP 3.66560

2-Octanol, 1,1'-oxybis- Specification

The 2-Octanol, 1,1'-oxybis-, with CAS registry number 21875-81-0, has the systematic name of 1,1'-oxydioctan-2-ol. Its molecular weight is 274.43936. And the chemical formula of this chemical is C₁₆H₃₄O₃. What's more, its EINECS is 244-624-3.

Physical properties of 2-Octanol, 1,1'-oxybis-: (1)ACD/LogP: 4.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.49; (4)ACD/LogD (pH 7.4): 4.49; (5)ACD/BCF (pH 5.5): 1535.26; (6)ACD/BCF (pH 7.4): 1535.26; (7)ACD/KOC (pH 5.5): 6641.52; (8)ACD/KOC (pH 7.4): 6641.52; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 16; (12)Polar Surface Area: 27.69 Å²; (13)Index of Refraction: 1.461; (14)Molar Refractivity: 80.9 cm³; (15)Molar Volume: 294.7 cm³; (16)Polarizability: 32.07×10^-24cm³; (17)Surface Tension: 34.9 dyne/cm; (18)Density: 0.931 g/cm³; (19)Flash Point: 191.4 °C; (20)Enthalpy of Vaporization: 74.3 kJ/mol; (21)Boiling Point: 392.8 °C at 760 mmHg; (22)Vapour Pressure: 8.49E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(COCC(O)CCCCCC)CCCCCC
(2)InChI: InChI=1/C16H34O3/c1-3-5-7-9-11-15(17)13-19-14-16(18)12-10-8-6-4-2/h15-18H,3-14H2,1-2H3
(3)InChIKey: TVPBCGITZQHSSI-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C16H34O3/c1-3-5-7-9-11-15(17)13-19-14-16(18)12-10-8-6-4-2/h15-18H,3-14H2,1-2H3
(5)Std. InChIKey: TVPBCGITZQHSSI-UHFFFAOYSA-N

Product Name

1,1'-oxydioctan-2-ol

2-Octanol, 1,1'-oxybis- Specification

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