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Hexanedioic acid,1,6-bis(2-methoxyethyl) ester

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Name

Hexanedioic acid,1,6-bis(2-methoxyethyl) ester

EINECS 203-352-5
CAS No. 106-00-3 Density 1.064 g/cm3
PSA 71.06000 LogP 0.92600
Solubility N/A Melting Point N/A
Formula C12H22O6 Boiling Point 327.8 °C at 760 mmHg
Molecular Weight 262.303 Flash Point 140.1 °C
Transport Information N/A Appearance clear colourless liquid
Safety 24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 106-00-3 (Hexanedioic acid,1,6-bis(2-methoxyethyl) ester) Hazard Symbols N/A
Synonyms

Adipicacid, bis(2-methoxyethyl) ester (6CI,7CI,8CI);Hexanedioic acid,bis(2-methoxyethyl) ester (9CI);Ethanol, 2-methoxy-, adipate (2:1) (8CI);Bis(2-methoxyethyl) adipate;Di(2-methoxyethyl) adipate;NSC 7329;Bis(2-methoxyethyl) Adipate;

 

Hexanedioic acid,1,6-bis(2-methoxyethyl) ester Specification

The Hexanedioic acid,1,6-bis(2-methoxyethyl) ester, with the CAS registry number 106-00-3, is also known as Bis(2-methoxyethyl) Adipate. Its EINECS registry number is 203-352-5. This chemical's molecular formula is C12H22O6 and molecular weight is 262.3. What's more, both its IUPAC name and systematic name are the same which is called Bis(2-methoxyethyl) hexanedioate. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should avoid contact with oxidant, reductant, moisture, ignition source. When you are dealing with this chemical, you should be very careful. During using it, you should avoid contact with skin and eyes.

Physical properties about Hexanedioic acid,1,6-bis(2-methoxyethyl) ester are: (1)ACD/LogP: 0.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.51; (4)ACD/LogD (pH 7.4): 0.51; (5)ACD/BCF (pH 5.5): 1.44; (6)ACD/BCF (pH 7.4): 1.44; (7)ACD/KOC (pH 5.5): 45.23; (8)ACD/KOC (pH 7.4): 45.23; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 13; (12)Polar Surface Area: 71.06 Å2; (13)Index of Refraction: 1.438; (14)Molar Refractivity: 64.68 cm3; (15)Molar Volume: 246.3 cm3; (16)Polarizability: 25.64×10-24 cm3; (17)Surface Tension: 34.8 dyne/cm; (18)Density: 1.064 g/cm3; (19)Flash Point: 140.1 °C; (20)Enthalpy of Vaporization: 57.01 kJ/mol; (21)Boiling Point: 327.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000198 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCOC)CCCCC(=O)OCCOC
(2)InChI: InChI=1/C12H22O6/c1-15-7-9-17-11(13)5-3-4-6-12(14)18-10-8-16-2/h3-10H2,1-2H3
(3)InChIKey: GVRNUDCCYWKHMV-UHFFFAOYAL

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