Basic information
- Name:
Acetic acid,1,1'-dianhydride with silicic acid (H4SiO4) bis(1,1-dimethylethyl) ester
- Superlist Name:
- Di-tert-butoxydiacetoxysilane
- CAS No.:
13170-23-5
- Molecular Structure:
- Formula:
- C12H24O6Si
- Molecular Weight:
- 292.40
- Synonyms:
- Aceticacid, dianhydride with (tert-BuO)2(HO)2Si (6CI);Acetic acid, dianhydride withsilicic acid (H4SiO4) bis(1,1-dimethylethyl) ester (9CI);Acetic acid,dianhydride with silicic acid (H4SiO4) di-tert-butyl ester (8CI);Silicic acid(H4SiO4), dianhydride with acetic acid di-tert-butyl ester (8CI);Diacetoxydi-t-butoxysilane;Diacetoxydi-tert-butoxysilane;
- EINECS:
- 236-112-3
- Density:
- 1.036 g/cm3
- Melting Point:
- -4 °C
- Boiling Point:
- 276.8 °C at 760 mmHg
- Flash Point:
- 100.8 °C
- Appearance:
- Colorless or yellowish transparent liquid
- Hazard Symbols:
C- Risk Codes:
- 34-36/37/38
- Safety Description:
- 26-36/37/39-45-28 Details
- Transport Information:
- UN 1760
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Specification
The Di-tert-butoxydiacetoxysilane, with the CAS registry number 13170-23-5, is also known as Diacetyl di-tert-butyl orthosilicate. It belongs to the product categories of Organics; Silicone series; Acetoxy Silanes; Crosslinkers; Crosslinking Agents. Its EINECS number is 236-112-3. This chemical's molecular formula is C12H24O6Si and formula weight is 292.40. What's more, both its IUPAC name and systematic name are the same which is called [Acetyloxy-bis[(2-methylpropan-2-yl)oxy]silyl] acetate. This chemical is colorless or yellowish transparent liquid.
Physical properties about this chemical are: (1)ACD/LogP: 4.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.66; (4)ACD/LogD (pH 7.4): 4.66; (5)ACD/BCF (pH 5.5): 2057.19; (6)ACD/BCF (pH 7.4): 2057.19; (7)ACD/KOC (pH 5.5): 8189.13; (8)ACD/KOC (pH 7.4): 8189.13; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 71.06 Å2; (13)Index of Refraction: 1.433; (14)Molar Refractivity: 73.33 cm3; (15)Molar Volume: 282.1 cm3; (16)Surface Tension: 27.7 dyne/cm; (17)Density: 1.036 g/cm3; (18)Flash Point: 100.8 °C; (19)Enthalpy of Vaporization: 51.54 kJ/mol; (20)Boiling Point: 276.8 °C at 760 mmHg; (21)Vapour Pressure: 0.00469 mmHg at 25°C; (22)Melting Point: -4 °C .
When you are using this chemical, please be cautious about it as the following:
This chemical may destroy living tissue on contact and may causes burns. Besides, it can irritate to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O[Si](OC(=O)C)(OC(C)(C)C)OC(C)(C)C)C
(2)InChI: InChI=1/C12H24O6Si/c1-9(13)15-19(16-10(2)14,17-11(3,4)5)18-12(6,7)8/h1-8H3
(3)InChIKey: OPARTXXEFXPWJL-UHFFFAOYAX