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Name |
Hexanedioic acid,1,6-bis(trimethylsilyl) ester |
EINECS | 242-002-6 |
CAS No. | 18105-31-2 | Density | 0.952 g/cm3 |
PSA | 52.60000 | LogP | 3.30300 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H26O4Si2 | Boiling Point | 241.3 °C at 760 mmHg |
Molecular Weight | 290.507 | Flash Point | 83 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Bis(trimethylsilyl) adipate;Hexanedioic acid,bis(trimethylsilyl) ester (9CI);Adipicacid, bis(trimethylsilyl) ester (7CI,8CI);Adipic acid, bis(trimethylsilyl) ester; |
Article Data | 7 |
The Hexanedioic acid,1,6-bis(trimethylsilyl) ester, with the CAS registry number 18105-31-2, is also known as Adipic acid, bis(trimethylsilyl) ester. It belongs to the product category of Industrial/Fine Chemicals. Its EINECS registry number is 242-002-6. This chemical's molecular formula is C12H26O4Si2 and molecular weight is 290.5. What's more, its systematic name is Bis(trimethylsilyl) hexanedioate.
Physical properties about Hexanedioic acid,1,6-bis(trimethylsilyl) ester are: (1)ACD/LogP: 3.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.08; (4)ACD/LogD (pH 7.4): 3.08; (5)ACD/BCF (pH 5.5): 128.9; (6)ACD/BCF (pH 7.4): 128.9; (7)ACD/KOC (pH 5.5): 1127.51; (8)ACD/KOC (pH 7.4): 1127.51; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.428; (14)Molar Refractivity: 78.62 cm3; (15)Molar Volume: 305 cm3; (16)Polarizability: 31.17×10-24 cm3; (17)Surface Tension: 24.3 dyne/cm; (18)Density: 0.952 g/cm3; (19)Flash Point: 83 °C; (20)Enthalpy of Vaporization: 47.82 kJ/mol; (21)Boiling Point: 241.3 °C at 760 mmHg; (22)Vapour Pressure: 0.0362 mmHg at 25 °C.
Use of Hexanedioic acid,1,6-bis(trimethylsilyl) ester: it is used to produce other chemicals. For example, it is used to produce Hexane-1,6-diol. This reaction needs reagent Dibah and solvent Hexane. The reaction time is 1 hour with reaction temperature of -78 °C. The yield is about 85 %.
When you are dealing with this chemical, you should be very careful. As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O[Si](C)(C)C)CCCCC(=O)O[Si](C)(C)C
(2)InChI: InChI=1/C12H26O4Si2/c1-17(2,3)15-11(13)9-7-8-10-12(14)16-18(4,5)6/h7-10H2,1-6H3
(3)InChIKey: DVGSOFSBBKDKRU-UHFFFAOYAE