CAS Number3128-06-1
SynonymsEINECS 221-511-7; 5-Ketocaproic acid; 5-Oxohexanoic Acid; 4-Acetylbutyric Acid; 4-Acetylbutyricacid; 5-Ketohexanoic acid; Hexanoic acid,5-oxo; 5-oxocaproic acid; 4-acetyl-butanoic acid; MFCD00004412; 5-oxo-hexanoic acid
Molecular FormulaCH3CO(CH2)3CO2H
Molecular Weight130.14
Purity97%
Density1.09 g/mL at 25 °C(lit.)
Boiling Point274-275 °C (lit.)
Melting Point13-14 °C (lit.)
Appearanceliquid
EINECS221-511-7
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 3128-06-1 |
| Catalog No. | 2A-9029461 |
| Chinese Name | 5-氧代己酸 |
| Synonyms | EINECS 221-511-7; 5-Ketocaproic acid; 5-Oxohexanoic Acid; 4-Acetylbutyric Acid; 4-Acetylbutyricacid; 5-Ketohexanoic acid; Hexanoic acid,5-oxo; 5-oxocaproic acid; 4-acetyl-butanoic acid; MFCD00004412; 5-oxo-hexanoic acid |
| Molecular Formula | CH3CO(CH2)3CO2H |
| Molecular Weight | 130.14 |
| Purity | 97 |
| Density | 1.09 g/mL at 25 °C(lit.) |
| Boiling Point | 274-275 °C (lit.) |
| Melting Point | 13-14 °C (lit.) |
| Appearance | liquid |
| Storage Condition | Sealed in a cool, dry environment |
| Application | Gluconate (4-acetylbutyric acid; 5-oxohexanoic acid) can be used to construct antiviral drugs (acyclic nucleoside esters) (extracted from patent WO1997030052A1) [1]. |
| EINECS | 221-511-7 |
| HTC | 2918300090 |
| PubChem ID | 24890531 |
| MDL Number | MFCD00004412 |
| SMILES | CC(=O)CCCC(O)=O |
| InChI | 1S/C6H10O3/c1-5(7)3-2-4-6(8)9/h2-4H2,1H3,(H,8,9) |
| InChI Key | MGTZCLMLSSAXLD-UHFFFAOYSA-N |
| NACRES Code | NA.22 |
| UNSPSC | 12352100 |
| MSDS | msds/29461_1_3128_06_1.pdf |
| Bioactivity | Glurate (4-Acetylbutyric acid; 5-Oxohexanoic acid) can be used to construct antiviral agents (acyclic nucleoside esters) (extracted from patent WO1997030052A1)[1]. Related Catalog Research Areas >> Infection Signaling Pathways >> Others >> Others References [1]. Per Engelhardt, et al. Synthesis of acyclic nucleosides. Patent WO1997030052A1. Chemical & Physical Properties Density 1.09 g/mL at 25 °C(lit.) Boiling Point 274-275 °C(lit.) Melting Point 13-14 °C(lit.) Molecular Formula C6H10O3 Molecular Weight 130.14200 Flash Point >230 °F Exact Mass 130.06300 PSA 54.37000 LogP 0.83030 Index of Refraction n20/D 1.4451(lit.) |
| Use of | Glurate (4-Acetylbutyric acid; 5-Oxohexanoic acid) can be used to construct antiviral agents (acyclic nucleoside esters) (extracted from patent WO1997030052A1)[1]. Properties Name 5-oxohexanoic acid Synonym More Synonyms Glurate Biological Activity Description Glurate (4-Acetylbutyric acid; 5-Oxohexanoic acid) can be used to construct antiviral agents (acyclic nucleoside esters) (extracted from patent WO1997030052A1)[1]. Related Catalog Research Areas >> Infection Signaling Pathways >> Others >> Others References [1]. Per Engelhardt, et al. Synthesis of acyclic nucleosides. Patent WO1997030052A1. Chemical & Physical Properties Molecular Formula C6H10O3 Exact Mass 130.06300 PSA 54.37000 LogP 0.83030 |
| Tax Rebate | 9.0% |
| Supervision | None MFN tariff: 6.5% Ordinary tariff: 30.0% |
| Transport Info | Product name: Purity: 98.0% |
| MSDS Transport Info | Module 14. Shipping information United Nations classification: inconsistent with United Nations classification standards 5-oxohexanoic acid Modification number: 5 Module 14. Shipping information UN number: not specified |
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