CAS No.74774-53-1,1 6-BIS(P-CARBOXYPHENOXY)HEXANE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	74774-53-1
Name:	1 6-BIS(P-CARBOXYPHENOXY)HEXANE
Article Data:	8

Formula:	C₂₀H₂₂O₆
Molecular Weight:	358.391
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;
Density:	1.238 g/cm³
Melting Point:	278-290 °C
Boiling Point:	580.1 °C at 760 mmHg
Flash Point:	205.7 °C
Hazard Symbols:	Xi,N
Risk Codes:	43-50/53
Safety:	36/37-60-61
PSA:	93.06000
LogP:	4.10120

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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^-24cm³; (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