1,1,1-Trimethoxypentane
- CAS No.
- 13820-09-2
- Chemical Name:
- 1,1,1-Trimethoxypentane
- Synonyms
- TRIMETHYL ORTHOVALERATE;trimethyl-valerate;TRIMETHYL-2-VALERATE;1,1,1-Trimethoxypent;TriMethyl orthovalerat;trimethyl protoglutate;1,1,1-TRIMETHOXYPENTANE;1,1,1-trimethoxy-pentan;PENTANE, 1,1,1-TRIMETHOXY-;1,1,1-TRIMETHOXY-N-PENTANE
- CBNumber:
- CB1375196
- Molecular Formula:
- C8H18O3
- Molecular Weight:
- 162.23
- MDL Number:
- MFCD00008481
- MOL File:
- 13820-09-2.mol
- MSDS File:
- SDS
- TDS File:
- TDS
| Boiling point | 164-166 °C (lit.) |
|---|---|
| Density | 0.941 g/mL at 25 °C (lit.) |
| refractive index | 1.408-1.41 |
| Flash point | 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) |
| FDA UNII | W0X9MOM6VZ |
| NIST Chemistry Reference | Pentane, 1,1,1-trimethoxy-(13820-09-2) |
| EPA Substance Registry System | Pentane, 1,1,1-trimethoxy- (13820-09-2) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) | ![]() ![]() GHS02,GHS07 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H226-H315-H319 | |||||||||
| Precautionary statements | P210-P302+P352-P305+P351+P338 | |||||||||
| PPE | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter | |||||||||
| 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 |
|||||||||
| NFPA 704 |
|
1,1,1-Trimethoxypentane price More Price(41)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | 254517 | Trimethyl orthovalerate 97% | 13820-09-2 | 5g | $51 | 2026-04-30 | Buy |
| TCI Chemical | T0981 | Trimethyl Orthovalerate | 13820-09-2 | 25mL | $66 | 2026-04-30 | Buy |
| TCI Chemical | T0981 | Trimethyl Orthovalerate | 13820-09-2 | 250mL | $392 | 2026-04-30 | Buy |
| TRC | TRC-T796575-5G | Trimethyl Orthovalerate | 13820-09-2 | 5g | $82 | 2026-06-03 | Buy |
| TRC | TRC-T796575-50G | Trimethyl Orthovalerate | 13820-09-2 | 50g | $294 | 2026-06-03 | Buy |
1,1,1-Trimethoxypentane Chemical Properties, Uses, Production
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
Raw materials
Preparation Products
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Weifang Runzhong Fine Chemical Co., LTD | 18653686003 | sq@runzhongchem.com | China | 81 | 58 |
| J & K SCIENTIFIC LTD. | 18210857532 18210857532 | jkinfo@jkchemical.com | China | 96815 | 76 |
| Meryer (Shanghai) Chemical Technology Co., Ltd. | 4006356688 18621169109 | market03@meryer.com | China | 40202 | 62 |
| Alfa Aesar | 400-6106006 | saleschina@alfa-asia.com | China | 30103 | 84 |
| TCI (Shanghai) Development Co., Ltd. | 021-67121386 | Sales-CN@TCIchemicals.com | China | 24512 | 81 |
| Beijing HwrkChemical Technology Co., Ltd | 89508211 18501085097 | sales.bj@hwrkchemical.com | China | 9407 | 55 |
| Energy Chemical | 400-0056266 | sales8178@energy-chemical.com | China | 44850 | 61 |
| Jia Xing Isenchem Co.,Ltd | 0573-85285100 18627885956 | isenchem@163.com | China | 9389 | 66 |
| Shanghai Hanhong Scientific Co.,Ltd. | 021-54306202 13764082696 | info@hanhongsci.com | China | 42917 | 64 |
| Shandong Xiya Chemical Co., Ltd | 13355009207 13355009207 | 3007715519@qq.com | China | 18722 | 57 |
View Latest Price from 1,1,1-Trimethoxypentane manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
![]() |
2026-08-08 | 1,1,1-Trimethoxypentane
13820-09-2
|
1kg | 99% GC | 100kg | Hangzhou ICH Biofarm Co., Ltd | ||
![]() |
2026-05-28 | 1,1,1-Trimethoxypentane
13820-09-2
|
$10.00 | 1KG | 99.% | 10 ton | Hebei Chuanghai Biotechnology Co,.LTD | |
![]() |
2026-03-20 | 1,1,1-Trimethoxypentane
13820-09-2
|
$10.00 | 1KG | 99% | 10 mt | Hebei Chuanghai Biotechnology Co., Ltd |
-

- 1,1,1-Trimethoxypentane
13820-09-2
- 99% GC
- Hangzhou ICH Biofarm Co., Ltd
-

- 1,1,1-Trimethoxypentane
13820-09-2
- $10.00
- 99.%
- Hebei Chuanghai Biotechnology Co,.LTD
-

- 1,1,1-Trimethoxypentane
13820-09-2
- $10.00
- 99%
- Hebei Chuanghai Biotechnology Co., Ltd
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