Henicosafluorundecansure

PFUNDA · HENICOSAFLUOROUNDECANOIC ACID · Heneicosafluoroundecanoic Acid · PFUNA · PERFLUOROUNDECANOIC ACID · Perfluoroundecanoicacid96% · perfluoro-n-undecanoicacid · Perfluoroundecanoic acid 96%

https://huagongshe.com/de/chemical/77222

Molekülstruktur von Henicosafluorundecansure

Identifikatoren & physikalische Daten

CAS No.	2058-94-8
Summenformel	C10F21COOH
Durchschnittliche Molmasse	564,09 g/mol
Monoisotopische Masse	563,96412189 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)F
InChIKey	SIDINRCMMRKXGQ-UHFFFAOYSA-N
PubChem CID	77222
ChEMBL	CHEMBL3188332
ChEBI	CHEBI:83493
EC No.	218-165-4
DTXSID	DTXSID8047553
Lokaler Name	Henicosafluorundecansure

Chemische & physikalische Eigenschaften

XLogP	6,9
Polarare Oberfläche (TPSA)	37,3
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	23
Frei drehbare Bindungen	9
Schwere Atome	34
Formalladung	0
Komplexität	789
Stoffklassen	Ionic LiquidsIonic Liquids -> Fluorinated Ionic Liquids
PFAS	PFAS -> Perfluorocarboxylic acidsPFAS -> Perfluoroalkyl acids (PFAAs)PFAS -> Other/unspecifiedPFAS -> OECD Category
Endocrine Disruptors	Potential endocrine disrupting compound
Dampfdruck	-1.65 ± 0.02 [log Psd at 298.15 K (Pa)]
Collision Cross Section	182.9 Å² [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: PFAS]266.81 Å² [2M-H]-
Enthalpy of Sublimation	110.5 ± 3.0 [ΔsubHb (kJ/mol) at 297.8-332.5 K]
Schmelzpunkt	96-101 °C(lit.)
Siedepunkt	160 °C60 mm Hg(lit.)
Dichte	1.7568 (estimate)
Flammpunkt	>230 °F
Lagerbedingungen	Sealed in dry,Room Temperature
Löslichkeit	DMSO (Slightly), Methanol (Slightly)
Aggregatzustand	powder to crystal
pKa (Säurekonstante)	0.52±0.10(Predicted)
Farbe	White to Almost white
Henry-Konstante	1.3×10-2 mol/(m3Pa) at 25℃, Arp et al. (2006)
InChI	1S/C11HF21O2/c12-2(13,1(33)34)3(14,15)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)32/h(H,33,34)
InChIKey	SIDINRCMMRKXGQ-UHFFFAOYSA-N
SMILES	OC(=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)F
EPA chemische Informationen	Undecanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heneicosafluoro- (2058-94-8)

Sicherheit & Vorschriften

hazard_note
GHS-Einstufung	This chemical does not meet GHS hazard criteria for 6.7% (3 of 45) of reports.WarningH302 (88.9%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, 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.
Regulatorische Informationen	Hazard Traits - BioaccumulationEnvironmental PersistenceRestricted substance: Henicosafluoroundecanoic acidSubstance: Henicosafluoroundecanoic acid
Hazard Classes and Categories	Acute Tox. 4 (88.9%)
Carcinogen Classification	No indication of carcinogenicity to humans (not listed by IARC).
RAIS Toxicity Values	0.0003WI Current
Hazard Quotient Level 0.1 or Cancer Risk Level 1E-06	1.90e+012.50e+026.00e+004.00e-034.50e-023.00e-04
Hazard Quotient Level 3 or Cancer Risk Level 1E-04	5.70e+017.40e+021.80e+014.00e-033.00e-04Volatile
Wassergefährdungsklasse (WGK)	3
UN-Transportnummer	3261
Zollcode	29159000
R-Sätze (R)	20/21/22-36/38
Gefahrensymbole	Xn,Xi,C

Anwendungen & Verwendung

Verwenden

Perfluoroundecanoic acid (PFUnA, perfluoro-n-undecanoic acid, henicosafluoroundecanoic acid) is an eleven-carbon compound in the perfluoroalkyl family of chemicals. Perfluoroundecanoic acid is used in a variety of applications, including in stain- and grease-proof coatings on food packages, furniture, upholstery, and carpet. Like many other perfluoroalkyl compounds, PFUnA persists in the environment due to its long carbon chain. Some research related to PFUnA has been conducted but additional inquiry is recommended for better understanding of how the chemical interacts with organisms and the environment.