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1,4-Undecanediol

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Name

1,4-Undecanediol

EINECS 224-263-8
CAS No. 4272-02-0 Density 0.916 g/cm3
Solubility Melting Point
Formula C11H24O2 Boiling Point 293 °C at 760 mmHg
Molecular Weight 188.31 Flash Point 130.7 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 4272-02-0 (1,4-Undecanediol) Hazard Symbols
Synonyms

undecane-1,4-diol;Einecs 224-263-8;1,4-Undecanediol

 

1,4-Undecanediol Specification

This chemical is called 1,4-Undecanediol, and its systematic name is Undecane-1,4-diol. With the molecular formula of C11H24O2, its molecular weight is 188.31. The CAS registry number of this chemical is 4272-02-0.

Other characteristics of the 1,4-Undecanediol can be summarised as followings: (1)ACD/LogP: 2.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.51; (4)ACD/LogD (pH 7.4): 2.51; (5)ACD/BCF (pH 5.5): 47.79; (6)ACD/BCF (pH 7.4): 47.79; (7)ACD/KOC (pH 5.5): 554.19; (8)ACD/KOC (pH 7.4): 554.19; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.457; (14)Molar Refractivity: 56.03 cm3; (15)Molar Volume: 205.4 cm3; (16)Polarizability: 22.21×10-24cm3; (17)Surface Tension: 35.2 dyne/cm; (18)Density: 0.916 g/cm3; (19)Flash Point: 130.7 °C; (20)Enthalpy of Vaporization: 61.79 kJ/mol; (21)Boiling Point: 293 °C at 760 mmHg; (22)Vapour Pressure: 0.000188 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: OCCCC(O)CCCCCCC
2.InChI: InChI=1/C11H24O2/c1-2-3-4-5-6-8-11(13)9-7-10-12/h11-13H,2-10H2,1H3
3.InChIKey: OQDSNPMZDSAHIZ-UHFFFAOYAE

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