Basic Information |
|
| Product Name： | ETHYL HYDROGEN MALONATE |
| CAS： | 1071-46-1 |
| English Synonyms： | ETHYL HYDROGEN MALONATE ; MONOETHYL MALONATE ; MALONIC ACID MONOETHYL ESTER ; (ETHOXYCARBONYL)ACETIC ACID ; 2-(ETHOXYCARBONYL)ACETIC ACID ; ETHYL MALONATE ; MONOETHYL HYDROGEN MALONATE ; 3-ETHOXY-3-OXOPROPANOIC ACID |
| MDL Number.： | MFCD00020490 |
| H bond acceptor： | 4 |
| H bond donor： | 1 |
| Smile： | CCOC(=O)CC(=O)O |
| InChi： | InChI=1S/C5H8O4/c1-2-9-5(8)3-4(6)7/h2-3H2,1H3,(H,6,7) |
| InChiKey： | InChIKey=HGINADPHJQTSKN-UHFFFAOYSA-N |
Property |
|
| Boiling Point： | 106.5 DEG C/3 MMHG(LIT) |
| Density： | 1.119g/mLat25°C(lit.) |
| Physical Property： | FLASHPOINT: 113 DEG C FLASHPOINT: 235.4 DEG F REFRACTIVE INDEX: N20/D 1.435(LIT) |
| Comments： | APPLICATION: REACTANT FOR: PREPARATION OF TETRAMIC ACIDS VIA DIECKMANN RING CLOSURE. ORGANOCATALYTIC DECARBOXYLATIVE DOEBNER-KNOEVENAGEL REACTIONS. CONJUGATION TO AMINO-MODIFIED OLIGONUCLEOTIDES. ACYLATION REACTIONS (ACYLATION AGENT). INDOLE GLYOXYLAMIDES FOR POTENTIAL PRION DISEASE TREATMENT. KNOEVENAGEL CONDENSATION WITH ALDEHYDES IMPURITIES: <10% ETHYL MALONATE, POTASSIUM SALT OTHER NOTES: TANDEM MASS SPECTROMETRY DATA INDEPENDENTLY GENERATED BY SCRIPPS CENTER FOR METABOLOMICS IS AVAILABLE TO VIEW OR DOWNLOAD IN PDF. 445088.PDF TESTED METABOLITES ARE FEATURED ON SCRIPPS CENTER FOR METABOLOMICS METLIN METABOLITE DATABASE. TO LEARN MORE, VISIT SIGMA.COM/METLIN UNSPSC: 12352100 WGK: 3 |
Safety information |
|
| Symbol： |
GHS07
|
| Signal word： | Warning |
| Hazard statements： | H315-H319-H335 |
| Precautionary statements： | P261-P305 + P351 + P338 |
| hazard symbol： | Xi |
| Risk Code： | R:36/37/38 |
| Safe Code： | S:26-36 |
| WGK Germany： | 3 |
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