Ethyl(2-trimethylsilyl)acetate

• CAS: 4071-88-9
• Catalog Number: ACM4071889
• Category: Other Organosilicon
• Molecular Weight: 160.29
• Molecular Formula: C₇H₁₆O₂Si
• Synonyms: (Trimethylsilyl)acetic Acid Ethyl Ester; Ethyl trimethylsilylacetate; Ethyl (TriMethylsilyl)acetate; Ethyl 2-(trimethylsilyl)acetate; ethyl 2-trimethylsilylacetate
• IUPAC Name: ethyl2-trimethylsilylacetate
• SMILES: CCOC(=O)C[Si](C)(C)C
• InChI Key: QQFBQBDINHJDMN-UHFFFAOYSA-N
• Boiling Point: 156-159ºC
• Flash Point: 35ºC
• Density: 0.876
• Appearance: Transparent liquid
• EC Number: 223-783-2
• Exact Mass: 160.09200
• Packing Group: III
• Safety Description: S16
• WGK Germany: 3

Custom Q&A

What is the molecular formula of Ethyl(2-trimethylsilyl)acetate?

The molecular formula of Ethyl(2-trimethylsilyl)acetate is C7H16O2Si.

When was Ethyl(2-trimethylsilyl)acetate created in PubChem?

Ethyl(2-trimethylsilyl)acetate was created in PubChem on 2005-03-26.

What is the IUPAC Name of Ethyl(2-trimethylsilyl)acetate?

The IUPAC Name of Ethyl(2-trimethylsilyl)acetate is ethyl 2-trimethylsilylacetate.

What is the InChIKey of Ethyl(2-trimethylsilyl)acetate?

The InChIKey of Ethyl(2-trimethylsilyl)acetate is QQFBQBDINHJDMN-UHFFFAOYSA-N.

What is the Canonical SMILES of Ethyl(2-trimethylsilyl)acetate?

The Canonical SMILES of Ethyl(2-trimethylsilyl)acetate is CCOC(=O)C[Si](C)(C)C.

What is the CAS Number of Ethyl(2-trimethylsilyl)acetate?

The CAS Number of Ethyl(2-trimethylsilyl)acetate is 4071-88-9.

What is the molecular weight of Ethyl(2-trimethylsilyl)acetate?

The molecular weight of Ethyl(2-trimethylsilyl)acetate is 160.29 g/mol.

How many hydrogen bond acceptors does Ethyl(2-trimethylsilyl)acetate have?

Ethyl(2-trimethylsilyl)acetate has 2 hydrogen bond acceptors.

What is the topological polar surface area of Ethyl(2-trimethylsilyl)acetate?

The topological polar surface area of Ethyl(2-trimethylsilyl)acetate is 26.3Ų.

Is Ethyl(2-trimethylsilyl)acetate a canonicalized compound in PubChem?

Yes, Ethyl(2-trimethylsilyl)acetate is a canonicalized compound in PubChem.

Synthetic Use

Upstream Synthesis Route 1

• 75-77-4
• 105-36-2

• 4071-88-9

Reference: [1] Journal of Organic Chemistry, 1983, vol. 48, # 26, p. 5288 - 5302
[2] Bulletin of the Chemical Society of Japan, 1985, vol. 58, # 3, p. 1075 - 1076
[3] Organic Syntheses, 1983, vol. 61, p. 122 - 122
[4] Journal of the American Chemical Society, 1976, vol. 98, p. 2346 - 2348
[5] Journal of Organic Chemistry, 1987, vol. 52, # 21, p. 4796 - 4798

Upstream Synthesis Route 2

• 105-36-2

• 4071-88-9

Reference: [1] Chemistry Letters, 2017, vol. 46, # 2, p. 228 - 231

Upstream Synthesis Route 3

• 13170-43-9
• 541-41-3

• 4071-88-9

Reference: [1] Journal of the American Chemical Society, 1948, vol. 70, p. 2874
[2] , Gmelin Handbook: Si: MVol.C, 4, page 14 - 18,
[3] Journal of Organometallic Chemistry, 1991, vol. 414, # 3, p. 295 - 305
[4] Journal of the American Chemical Society, 1948, vol. 70, p. 2874

Downstream Synthesis Route 1

• 4071-88-9
• 593-08-8

• 60437-01-6

Reference: [1]Pharmazie,1984,vol. 39,p. 21 - 22

Downstream Synthesis Route 2

• 4071-88-9
• 2345-28-0

• 39060-65-6

Reference: [1]Pharmazie,1984,vol. 39,p. 21 - 22

Downstream Synthesis Route 3

• 4071-88-9
• 13185-18-7

• 137847-72-4

Reference: [1]Liebigs Annalen der Chemie,1992,p. 145 - 158

* For details of the synthesis route, please refer to the original source to ensure accuracy.