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Benzoic acid,4,4'-[1,6-hexanediylbis(oxy)]bis-

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Name

Benzoic acid,4,4'-[1,6-hexanediylbis(oxy)]bis-

EINECS N/A
CAS No. 74774-53-1 Density 1.238 g/cm3
PSA 93.06000 LogP 4.10120
Solubility N/A Melting Point 278-290 °C
Formula C20H22O6 Boiling Point 580.1 °C at 760 mmHg
Molecular Weight 358.391 Flash Point 205.7 °C
Transport Information N/A Appearance N/A
Safety 36/37-60-61 Risk Codes 43-50/53
Molecular Structure Molecular Structure of 74774-53-1 (1 6-BIS(P-CARBOXYPHENOXY)HEXANE) Hazard Symbols IrritantXi,DangerousN
Synonyms

Benzoicacid, 4,4'-(hexamethylenedioxy)di- (6CI);1,6-Bis(4-carboxyphenoxy)hexane;1,6-Hexyldioxy-4,4'-dibenzoic acid;a,w-Bis(4-carboxyphenoxy)hexane;4,4'-[Hexane-1,6-diylbis(oxy)]dibenzoic acid;

Article Data 8

Benzoic acid,4,4'-[1,6-hexanediylbis(oxy)]bis- Specification

The Benzoic acid,4,4'-[1,6-hexanediylbis(oxy)]bis-, with the CAS registry number 74774-53-1, is also known as 1,6-Hexyldioxy-4,4'-dibenzoic acid. This chemical's molecular formula is C20H22O6 and molecular weight is 358.39. What's more, its systematic name is 4,4'-[Hexane-1,6-diylbis(oxy)]dibenzoic acid.

Physical properties of Benzoic acid,4,4'-[1,6-hexanediylbis(oxy)]bis- are: (1)ACD/LogP: 5.29; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.17; (4)ACD/LogD (pH 7.4): 1.16; (5)ACD/BCF (pH 5.5): 47.19; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 137.47; (8)ACD/KOC (pH 7.4): 1.33; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 71.06 Å2; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 96.2 cm3; (15)Molar Volume: 289.4 cm3; (16)Polarizability: 38.13×10-24 cm3; (17)Surface Tension: 52.5 dyne/cm; (18)Density: 1.238 g/cm3; (19)Flash Point: 205.7 °C; (20)Enthalpy of Vaporization: 91.28 kJ/mol; (21)Boiling Point: 580.1 °C at 760 mmHg; (22)Vapour Pressure: 2.68E-14 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It may cause sensitisation by skin contact and it is very toxic to aquatic organisms, and may cause long-term adverse effects in the aquatic environment. When using it, you need wear suitable protective clothing and gloves. Besides, this material and its container must be disposed of as hazardous waste and you need avoid releasing it to the environment.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c2ccc(OCCCCCCOc1ccc(cc1)C(=O)O)cc2
(2)InChI: InChI=1/C20H22O6/c21-19(22)15-5-9-17(10-6-15)25-13-3-1-2-4-14-26-18-11-7-16(8-12-18)20(23)24/h5-12H,1-4,13-14H2,(H,21,22)(H,23,24)
(3)InChIKey: FQJXYULOQZUKBZ-UHFFFAOYSA-N

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