CAS Number42558-54-3
SynonymsIso-butyrylmethyl acetate; Methyl 4-methyl-3-oxovalerate; Pentanoic acid, 4-methyl-3-oxo-, methyl ester; Methyl 3-oxoisocaproate; Isobutyrylacetic acid methyl ester; Methyl 4-methyl-3-oxovalerate (IBEM); Methyl 4-methyl-3-oxopentanoate; 4-Methyl-3-oxovaleric Acid Methyl Ester; EINECS 418-900-0; Methyl isobutyrylacetate; 1Y1&V1VO1; MFCD00040499
Molecular FormulaCH3CH(CH3)COCH2COOCH3
Molecular Weight144.17
Purity≥96.0 (GC)%
Density1.0±0.1 g/cm3
Boiling Point192 °C/1013 hPa
Melting Point-75 °C
AppearanceColorless to light yellow liquid
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 42558-54-3 |
| Catalog No. | 2A-9008068 |
| Chinese Name | 异丁酰乙酸甲酯(IBEM) |
| Synonyms | Iso-butyrylmethyl acetate; Methyl 4-methyl-3-oxovalerate; Pentanoic acid, 4-methyl-3-oxo-, methyl ester; Methyl 3-oxoisocaproate; Isobutyrylacetic acid methyl ester; Methyl 4-methyl-3-oxovalerate (IBEM); Methyl 4-methyl-3-oxopentanoate; 4-Methyl-3-oxovaleric Acid Methyl Ester; EINECS 418-900-0; Methyl isobutyrylacetate; 1Y1&V1VO1; MFCD00040499 |
| Molecular Formula | CH3CH(CH3)COCH2COOCH3 |
| Molecular Weight | 144.17 |
| Purity | ≥96.0 (GC) |
| Density | 1.0±0.1 g/cm3 |
| Boiling Point | 192 °C/1013 hPa |
| Melting Point | -75 °C |
| Appearance | Colorless to light yellow liquid |
| Storage Condition | Sealed, cool, dry storage |
| HTC | 2915390090 |
| MDL Number | MFCD00040499 |
| SMILES | O(C)C(=O)CC(=O)C(C)C |
| InChI | 1S/C7H12O3/c1-5(2)6(8)4-7(9)10-3/h5H,4H2,1-3H3 |
| InChI Key | HNNFDXWDCFCVDM-UHFFFAOYSA-N |
| NACRES Code | NA.22 |
| UNSPSC | 12352108 |
| MSDS | msds/8068_1_42558_54_3.pdf |
| Tax Rebate | 9.0% |
| Supervision | None MFN tariff: 6.5% Ordinary tariff: 30.0% |
| Transport Info | Product name: Purity: 0.0% |
| MSDS Transport Info | Module 14. Shipping information United Nations classification: inconsistent with United Nations classification standards UN number: not specified |
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