Basic Information |
|
| Product Name： | ITACONIC ACID |
| CAS： | 97-65-4 ;144368-21-8 |
| English Synonyms： | 2-METHYLIDENEBUTANEDIOIC ACID ; METHYLENEBUTANEDIOIC ACID ; PROPYLENEDICARBOXYLIC ACID ; ITACONIC ACID ; 3-CARBOXY-3-BUTENOIC ACID ; METHYLENESUCCINIC ACID ; 2-PROPENE-1,2-DICARBOXYLIC ACID ; 2-METHYLENESUCCINIC ACID |
| MDL Number.： | MFCD00004260 |
| H bond acceptor： | 4 |
| H bond donor： | 2 |
| Smile： | C=C(CC(=O)O)C(=O)O |
| InChi： | InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h1-2H2,(H,6,7)(H,8,9) |
| InChiKey： | InChIKey=LVHBHZANLOWSRM-UHFFFAOYSA-N |
Property |
|
| Melting Point： | 165-168 DEG C(LIT)/167-168℃ |
| Boiling Point： | 268 DEG C (DECOMPOSITION) |
| Density： | 1.573g/mLat25°C(lit.) |
| Physical Property： | AUTOIGNITION TEMPERATURE: 1472 DEG F |
| Comments： | OTHER NOTES: TANDEM MASS SPECTROMETRY DATA INDEPENDENTLY GENERATED BY SCRIPPS CENTER FOR METABOLOMICS IS AVAILABLE TO VIEW OR DOWNLOAD IN PDF. I29204.PDF TESTED METABOLITES ARE FEATURED ON SCRIPPS CENTER FOR METABOLOMICS METLIN METABOLITE DATABASE. TO LEARN MORE, VISIT SIGMA.COM/METLIN UNSPSC: 12352100 WGK: 1 |
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： | 1 |
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