HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 1081Erstellt: 26. Oktober 2026
(+-)-Citramalic acid
citramalate · (?-Potassium citramalate · 2-Deoxy-3-C-methyltetraric acid · (+/-)-Citramalic acid dipotassium salt · (±)-2-Hydroxy-2-methylsuccinic acid dipotassium salt, (±)-2-Methylmalic acid dipotassium salt, (±)-Citramalic acid dipotassium salt
https://huagongshe.com/de/chemical/1081
Identifikatoren & physikalische Daten
| CAS No. | 2306-22-1 |
|---|
| Summenformel | C5H8O5 |
|---|
| Durchschnittliche Molmasse | 148,11 g/mol |
|---|
| Monoisotopische Masse | 148,03717336 g/mol |
|---|
| SMILES | CC(O)(CC(=O)O)C(=O)O |
|---|
| InChIKey | XFTRTWQBIOMVPK-UHFFFAOYSA-N |
|---|
| PubChem CID | 1081 |
|---|
| ChEBI | CHEBI:15584 |
|---|
| EC No. | 209-901-5 |
|---|
| DTXSID | DTXSID40862265 |
|---|
Chemische & physikalische Eigenschaften
| XLogP | -0,9 |
|---|
| Polarare Oberfläche (TPSA) | 94,8 |
|---|
| H-Brücken-Donoren | 3 |
|---|
| H-Brücken-Akzeptoren | 5 |
|---|
| Frei drehbare Bindungen | 3 |
|---|
| Schwere Atome | 10 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 163 |
|---|
| Schmelzpunkt | 107 - 111 °C |
|---|
| Physical Description | Solid |
|---|
| Collision Cross Section | 133.2 Ų [M+Na]+ [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]124.87 Ų [M-H]- [CCS Type: DTMethod: stepped-field] |
|---|
| Löslichkeit | Acetone (Slightly), Chloroform (Slightly), Ethanol (Slightly), Methanol (Slightly) |
|---|
| Aggregatzustand | Solid |
|---|
| Farbe | Off-White to Pale Beige |
|---|
| Merck | 13,2347 |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation] |
|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Skin Irrit. 2 (66.7%) |
|---|
| Wassergefährdungsklasse (WGK) | 3 |
|---|
| R-Sätze (R) | 36/37/38 |
|---|
| Gefahrensymbole | Xi |
|---|
| Sicherheitshinweise (S) | 26-36 |
|---|
