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21875-81-0

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Basic Information
CAS No.: 21875-81-0
Name: 1,1'-oxydioctan-2-ol
Molecular Structure:
Molecular Structure of 21875-81-0 (1,1'-oxydioctan-2-ol)
Formula: C16H34O3
Molecular Weight: 274.43936
Synonyms: 2-Octanol,1,1'-oxydi- (8CI);
EINECS: 244-624-3
Density: 0.931g/cm3
Boiling Point: 392.8 °C at 760 mmHg
Flash Point: 191.4 °C
PSA: 49.69000
LogP: 3.66560
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    Zibo Hangyu Biotechnology Development Co., Ltd is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and OLED intermediates and other fine chemi

    Hangyu Biotech is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and O

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    factory?direct?sale Application:Fine chemical intermediates, used as the main raw material for the synthesis of various pesticides, medicines, surfactants, polymer monomers, and antifungal agents

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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