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| | 1,1,1-Trimethoxypentane Basic information |
| Product Name: | 1,1,1-Trimethoxypentane | | Synonyms: | 1,1,1-TRIMETHOXY-N-PENTANE;1,1,1-TRIMETHOXYPENTANE;PENTANE, 1,1,1-TRIMETHOXY-;ORTHO-N-VALERIC ACID TRIMETHYL ESTER;TRIMETHYL ORTHO-N-VALERATE;TRIMETHYL-2-VALERATE;trimethyl-valerate;1,1,1-trimethoxy-pentan | | CAS: | 13820-09-2 | | MF: | C8H18O3 | | MW: | 162.23 | | EINECS: | 237-496-5 | | Product Categories: | Acetals/Ketals/Ortho Esters;Building Blocks;Chemical Synthesis;Organic Building Blocks;Oxygen Compounds;Orthoesters;Miscellaneous | | Mol File: | 13820-09-2.mol |  |
| | 1,1,1-Trimethoxypentane Chemical Properties |
| Boiling point | 164-166 °C (lit.) | | density | 0.941 g/mL at 25 °C (lit.) | | refractive index | 1.408-1.41 | | Fp | 41 °C | | storage temp. | Flammables area | | solubility | Chloroform (Slightly), DMSO, Methanol (Slightly) | | form | clear liquid | | color | Colorless to Almost colorless | | Sensitive | Moisture Sensitive | | Merck | 14,9717 | | BRN | 1739200 | | Stability: | Unstable in acidic solution, Unstable In Acidic Solution | | InChI | 1S/C8H18O3/c1-5-6-7-8(9-2,10-3)11-4/h5-7H2,1-4H3 | | InChIKey | XUXVVQKJULMMKX-UHFFFAOYSA-N | | SMILES | CCCCC(OC)(OC)OC | | CAS DataBase Reference | 13820-09-2(CAS DataBase Reference) | | NIST Chemistry Reference | Pentane, 1,1,1-trimethoxy-(13820-09-2) | | EPA Substance Registry System | Pentane, 1,1,1-trimethoxy- (13820-09-2) |
| Hazard Codes | Xi,F | | Risk Statements | 36/37/38-10-36/38 | | Safety Statements | 37/39-26-16-36 | | RIDADR | 1993 | | WGK Germany | 3 | | TSCA | TSCA listed | | HazardClass | 3 | | PackingGroup | III | | HS Code | 29159000 | | Storage Class | 3 - Flammable liquids | | Hazard Classifications | Eye Irrit. 2
Flam. Liq. 3
Skin Irrit. 2 |
| | 1,1,1-Trimethoxypentane Usage And Synthesis |
| Chemical Properties | CLEAR COLORLESS LIQUID | | Uses | Trimethyl orthovalerate is used in the synthesis of 1,2,4-triazolo[1,5-c]pyrimidine derivatives as human adenosine A3 receptor ligands. It can also be used as a precursor to prepare N-sulfonyl and N-sulfinyl imines and imidates. | | Uses | Trimethyl orthovalerate has been used in the preparation of:
- various 9-O-acyl derivatives of N-acetyl- and N-glycoloyl-neuraminic acid
- 2-methyl, 2-ethyl, 2-propyl and 2-butyl-3-benzimidazolyl-4(3H)-quinazolinones
| | Synthesis Reference(s) | Journal of the American Chemical Society, 68, p. 1922, 1946 DOI: 10.1021/ja01214a015 | | General Description | Kinetics of unimolecular gas-phase elimination of trimethyl orthovalerate has been investigated. |
| | 1,1,1-Trimethoxypentane Preparation Products And Raw materials |
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