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The 2-Propenoic acid,3-(trimethoxysilyl)propyl ester, with the CAS registry number 4369-14-6, is also known as 3-Acryloxypropyltrimethoxysilane. It belongs to the product categories of Monomer; Chloroalkylsilanes, etc. (Silane Coupling Agents); Functional Materials; Si (Classes of Silicon Compounds); Silane Coupling Agents; Si-O Compounds; Trialkoxysilanes; Methacrylate Silanes. Its EINECS registry number is 419-560-6. This chemical's molecular formula is C9H18O5Si and molecular weight is 234.09235. Its IUPAC name is called 3-trimethoxysilylpropyl prop-2-enoate. This chemical is colorless transparent liquid. Its classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance].
Physical properties of 2-Propenoic acid,3-(trimethoxysilyl)propyl ester: (1)ACD/LogP: 1.24; (2)ACD/LogD (pH 5.5): 1.24; (3)ACD/LogD (pH 7.4): 1.24; (4)ACD/BCF (pH 5.5): 5.14; (5)ACD/BCF (pH 7.4): 5.14; (6)ACD/KOC (pH 5.5): 112.32; (7)ACD/KOC (pH 7.4): 112.32; (8)#H bond acceptors: 5; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 9; (11)Index of Refraction: 1.427; (12)Molar Refractivity: 59.19 cm3; (13)Molar Volume: 230.4 cm3; (14)Surface Tension: 26.3 dyne/cm; (15)Density: 1.016 g/cm3; (16)Flash Point: 82.3 °C; (17)Enthalpy of Vaporization: 47.69 kJ/mol; (18)Boiling Point: 240 °C at 760 mmHg; (19)Vapour Pressure: 0.039 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to 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 eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CO[Si](CCCOC(=O)C=C)(OC)OC
(2)InChI: InChI=1S/C9H18O5Si/c1-5-9(10)14-7-6-8-15(11-2,12-3)13-4/h5H,1,6-8H2,2-4H3
(3)InChIKey: KBQVDAIIQCXKPI-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rabbit | LD50 | skin | 1mL/kg (1mL/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: OTHER CHANGES MUSCULOSKELETAL: OTHER CHANGES | National Technical Information Service. Vol. OTS0541032, |
rat | LD50 | oral | 1mL/kg (1mL/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BLOOD: HEMORRHAGE KIDNEY, URETER, AND BLADDER: OTHER CHANGES IN URINE COMPOSITION | National Technical Information Service. Vol. OTS0541032, |