3-(TRIMETHYLSILYL) PROPIONIC ACID

The CAS register number of Propanoic acid,3-(trimethylsilyl)- is 5683-30-7. It also can be called as 2-Silapentan-5-oic acid, 2,2-dimethyl- and the IUPAC name about this chemical is 3-trimethylsilylpropanoic acid. The molecular formula about this chemical is C₆H₁₄O₂Si and the molecular weight is 146.26.

Physical properties about Propanoic acid,3-(trimethylsilyl)- are: (1)ACD/LogP: 1.80; (2)ACD/LogD (pH 5.5): 1.16; (3)ACD/LogD (pH 7.4): -0.61; (4)ACD/BCF (pH 5.5): 3.14; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 51.97; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 26.3Ų; (12)Index of Refraction: 1.421; (13)Molar Refractivity: 40.12 cm³; (14)Molar Volume: 157.9 cm³; (15)Polarizability: 15.9x10^-24cm³; (16)Surface Tension: 24.6 dyne/cm; (17)Enthalpy of Vaporization: 50.69 kJ/mol; (18)Boiling Point: 223.6 °C at 760 mmHg; (19)Vapour Pressure: 0.0351 mmHg at 25°C.

Preparation:Preparation: this chemical can be prepared by 3-trimethylsilanyl-propionic acid ethyl ester. This reaction will need reagent KOH and solvent ethanol. The yield is about 100%.

Uses of Propanoic acid,3-(trimethylsilyl)-: it can be used to produce 3-trimethylsilanyl-propionyl chloride. This reaction will need reagent SOCl₂.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. 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)CC[Si](C)(C)C
(2)InChI: InChI=1/C6H14O2Si/c1-9(2,3)5-4-6(7)8/h4-5H2,1-3H3,(H,7,8)
(3)InChIKey: NONFLFDSOSZQHR-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C6H14O2Si/c1-9(2,3)5-4-6(7)8/h4-5H2,1-3H3,(H,7,8)
(5)Std. InChIKey: NONFLFDSOSZQHR-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	oral	3gm/kg (3000mg/kg)		European Patent Application. Vol. #0008130,