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Tricosafluordodecansure
PFDOA · PFDODA · TRICOSAFLUORODODECANOIC ACID · PERFLUOROLAURIC ACID · Tricosafluorododecanoic Acid Standard · PERFLUORODODECANOIC ACID · Tricosafluorolauric Acid · Perfluorododecanoicacid96%
Identifikatoren & physikalische Daten
| CAS No. | 307-55-1 |
|---|---|
| Summenformel | C11F23COOH |
| Durchschnittliche Molmasse | 614,1 g/mol |
| Monoisotopische Masse | 613,96092833 g/mol |
| SMILES | O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |
| InChIKey | CXGONMQFMIYUJR-UHFFFAOYSA-N |
| PubChem CID | 67545 |
| ChEBI | CHEBI:90633 |
| EC No. | 206-203-2 |
| DTXSID | DTXSID8031861 |
| Lokaler Name | Tricosafluordodecansure |
Chemische & physikalische Eigenschaften
| XLogP | 7,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 25 |
| Frei drehbare Bindungen | 10 |
| Schwere Atome | 37 |
| Formalladung | 0 |
| Komplexität | 879 |
| Stoffklassen | Ionic LiquidsIonic Liquids -> Fluorinated Ionic Liquids |
| PFAS | PFAS -> Perfluorocarboxylic acidsPFAS -> Perfluoroalkyl acids (PFAAs)PFAS -> OECD CategoryPFAS -> Other/unspecified |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Collision Cross Section | 191.4 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: PFAS]172.25 Ų [M-H-CO2]- |
| Schmelzpunkt | 105-108 °C (lit.) |
| Siedepunkt | 245 °C/740 mmHg (lit.) |
| Dichte | 1.7633 (estimate) |
| Flammpunkt | 245°C |
| Lagerbedingungen | Refrigerator |
| Löslichkeit | Chloroform (Slightly, Heated), Methanol (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 0.52±0.10(Predicted) |
| Farbe | white powder or chunks |
| BRN | 1811257 |
| Henry-Konstante | 6.4×10-3 mol/(m3Pa) at 25℃, Plassmann et al. (2011) |
| InChI | InChI=1S/C12HF23O2/c13-2(14,1(36)37)3(15,16)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)12(33,34)35/h(H,36,37) |
| InChIKey | CXGONMQFMIYUJR-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |
| CAS Datenbank | 307-55-1(CAS DataBase Reference) |
| EPA chemische Informationen | Perfluorododecanoic acid (307-55-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (11.1%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Not Classified |
|---|---|
| Regulatorische Informationen | Hazard Traits - BioaccumulationEnvironmental PersistenceS - indicates a substance that is identified in a final Significant New Use Rule.Restricted substance: Tricosafluorododecanoic acidSubstance: Tricosafluorododecanoic acid |
| Hazard Classes and Categories | Skin Corr. 1B (11.1%) |
| RAIS Toxicity Values | 5e-05WI Current |
| Hazard Quotient Level 0.1 or Cancer Risk Level 1E-06 | 3.20e+004.10e+011.00e+00(G)1.70e-015e-05 |
| Hazard Quotient Level 3 or Cancer Risk Level 1E-04 | 9.50e+001.20e+023.00e+005e-05VolatileMutagen |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 3261 |
| Zollcode | 29159000 |
| RTECS-Nr. | JR3740000 |
| R-Sätze (R) | 36/37/38 |
Anwendungen & Verwendung
Verwenden
Perfluorododecanoic acid is a twelve-carbon compound in the perfluoroalkyl family of chemicals. It is a byproduct of stain- and greaseproof coatings on food packages, furniture, and carpets. It is known to bioaccumulate in the environment, although research related to the toxicity of the chemical is scarce.