Health & Environmental Research Online (HERO)


PFOA (335-67-1) and PFOS (1763-23-1)


11 References Were Found:

Data/Software
Data/ Software

Perfluoroctanesulfonic acid (CASRN: 1763-23-1)

Author: HSDB (2016) Bethesda, MD: U.S. National Library of Medicine, Toxicology Data Network (TOXNET). [Database] HERO ID: 3982555

[Less] IDENTIFICATION: Perfluorooctane sulfonic acid, also called PFOS, is a liquid. It is sparingly soluble . . . [More] IDENTIFICATION: Perfluorooctane sulfonic acid, also called PFOS, is a liquid. It is sparingly soluble in water.

USE: PFOS was an important commercial chemical that was used as a fabric protector (3M Scotchguard). PFOS was also used in fire-fighting foams. Its manufacture was stopped in 2002.

EXPOSURE: PFOS is widely distributed around the globe. It is found in soil, air and water. Workers who used or produced PFOS may have breathed in mists or have had direct skin contact. The general population may be exposed by dermal contact with fabrics treated with PFOS. Because PFOS is now found everywhere in the environment, people are exposed through food, in particular fish, and house dust. For people living near industries that made PFOS, exposure was from water, soil and air. PFOS has been found in very small amounts in the blood of people and animals worldwide. PFOS is extremely persistent. If PFOS is released to the environment it will not be broken down in air. It can travel long distances in the air on particles that eventually fall to the ground. It is not expected to be broken down by sunlight. PFOS may get into the air during windy days. It will not move into air from moist soil and water surfaces. It is not expected to move through soil. It may be carried through soil by groundwater and flooding. It will not be broken down by microorganisms, and is expected to build up in fish.

RISK: In general, data regarding the potential toxicity of PFOS are inconsistent. Additionally, it is currently under debate whether or not effects observed in animals are relevant to humans based on species differences in how the body reacts to exposure, particularly cancer effects. Therefore, health risks associated with exposure to PFOS are unclear. Increased cholesterol levels, increased risk of high blood pressure, thyroid disease, and liver damage have been associated with increased blood levels of PFOS in exposed humans in some studies. In laboratory animals, skin and eye irritation, weight loss, altered cholesterol levels, liver damage, and immune system impairment are the primary effects associated with exposure to PFOS. Data regarding the potential for PFOS to cause infertility, abortion, or birth defects in humans are not available. Birth defects, delayed development, and early deaths have been observed in laboratory animals exposed to PFOS during pregnancy. There is limited evidence that high occupational exposure to PFOS may increase the risk of bladder cancer; however, data for this endpoint are inconsistent. No other forms of cancer have been associated with PFOS exposure in humans. Liver tumors developed in laboratory animals exposed to PFOS over their lifetime. The potential for PFOS to cause cancer in humans has not been assessed by the U.S. EPA IRIS program, the International Agency for Research on Cancer, or the U.S. National Toxicology Program 13th Report on Carcinogens. (SRC)

The "refereed" or "peer review" status of a journal comes from the Ulrichsweb Global Serials Directory (http://ulrichsweb.serialssolutions.com/), as supplied by the publisher. The term refers to the system of critical evaluation of manuscripts/articles by professional colleagues or peers. The content of refereed publications is sanctioned, vetted, or otherwise approved by a peer-review or editorial board. The peer-review and evaluation system is utilized to protect, maintain, and raise the quality of scholarly material published in serials. Publications subject to the referee process are assumed, then, to contain higher quality content than those that are not.
Peer Reviewed Journal Article

Prediction of aqueous solubility, vapor pressure and critical micelle concentration for aquatic partitioning of perfluorinated chemicals

Authors: Bhhatarai, B; Gramatica, P (2011) Environmental Science and Technology 45:8120-8128. HERO ID: 3980826

[Less] The majority of perfluorinated chemicals (PFCs) are of increasing risk to biota and environment due . . . [More] The majority of perfluorinated chemicals (PFCs) are of increasing risk to biota and environment due to their physicochemical stability, wide transport in the environment and difficulty in biodegradation. It is necessary to identify and prioritize these harmful PFCs and to characterize their physicochemical properties that govern the solubility, distribution and fate of these chemicals in an aquatic ecosystem. Therefore, available experimental data (10-35 compounds) of three important properties: aqueous solubility (AqS), vapor pressure (VP) and critical micelle concentration (CMC) on per- and polyfluorinated compounds were collected for quantitative structure-property relationship (QSPR) modeling. Simple and robust models based on theoretical molecular descriptors were developed and externally validated for predictivity. Model predictions on selected PFCs were compared with available experimental data and other published in silico predictions. The structural applicability domains (AD) of the models were verified on a bigger data set of 221 compounds. The predicted properties of the chemicals that are within the AD, are reliable, and they help to reduce the wide data gap that exists. Moreover, the predictions of AqS, VP, and CMC of most common PFCs were evaluated to understand the aquatic partitioning and to derive a relation with the available experimental data of bioconcentration factor (BCF).

The "refereed" or "peer review" status of a journal comes from the Ulrichsweb Global Serials Directory (http://ulrichsweb.serialssolutions.com/), as supplied by the publisher. The term refers to the system of critical evaluation of manuscripts/articles by professional colleagues or peers. The content of refereed publications is sanctioned, vetted, or otherwise approved by a peer-review or editorial board. The peer-review and evaluation system is utilized to protect, maintain, and raise the quality of scholarly material published in serials. Publications subject to the referee process are assumed, then, to contain higher quality content than those that are not.
Peer Reviewed Journal Article

Theoretical studies on the pKa values of perfluoroalkyl carboxylic acids

Authors: Rayne, S; Forest, K (2010) Journal of Molecular Structure. Theochem 949:60-69. HERO ID: 3858793

[Less] Computational studies were conducted using the major levels of semiempirical, ab initio, density functional . . . [More] Computational studies were conducted using the major levels of semiempirical, ab initio, density functional theory (DFT), and the CBS-Q//B3 method and various solvation models on a homologous series of straight chain perfluoroalkyl carboxylic acids (PFCAs) ranging in chain length from C-1(trifluoroacetic acid) to C-9(n-perfluorodecanoic acid) as well as the monomethyl branched C-7(n-perfluorooctanoic acid; n-PFOA) isomers. Regardless of perfluoroalkyl chain length and theoretical method employed, application of a computational thermodynamic cycle indicated no significant change in the estimated aqueous monomeric pK(a) values between C-1 and C-9, all having a relatively constant pK(a) of about 0 that is in agreement with earlier predictions and recent experimental evidence. Perfluoroalkyl chain helicity does not appear to result in increased monomeric PFCA pK(a) values at chain lengths greater than 5. Increasing chain length does not substantially influence the structural or electronic character of the carboxylic acid head group. A MMFF94 conformational search yielded 2915 separate low- through high-energy conformers of n-PFOA. Ranking of these structures gave the 94 lowest MMFF94 energy conformations that were subjected to DFT investigations. Application of a thermodynamic cycle approach, coupled with aqueous and gas phase DFT calculations on the molecular and anionic forms for each of the conformers, gave conformationally averaged pK(a), values for n-PFOA equal to the global minimum helical conformer pK(a). The conformational populations under study occupy similar to 100% of the global n-PFOA conformational space, indicating no higher energy/low acidity conformations remain unexamined that could influence the predicted composite aqueous monomeric pK(a) of zero for this compound. (C) 2010 Elsevier B.V. All rights reserved.

The "refereed" or "peer review" status of a journal comes from the Ulrichsweb Global Serials Directory (http://ulrichsweb.serialssolutions.com/), as supplied by the publisher. The term refers to the system of critical evaluation of manuscripts/articles by professional colleagues or peers. The content of refereed publications is sanctioned, vetted, or otherwise approved by a peer-review or editorial board. The peer-review and evaluation system is utilized to protect, maintain, and raise the quality of scholarly material published in serials. Publications subject to the referee process are assumed, then, to contain higher quality content than those that are not.
Peer Reviewed Journal Article

Acid dissociation versus molecular association of perfluoroalkyl oxoacids: Environmental implications

Authors: Cheng, Jie; Psillakis, E; Hoffmann, MR; Colussi, AJ (2009) Journal of Physical Chemistry A 113:8152-8156. [Letter] HERO ID: 2551847

[Less] Perfluorooctanoate (PFO) and perfluorooctanesulfonate (PFOS) surfactant anions, once released, may rapidly . . . [More] Perfluorooctanoate (PFO) and perfluorooctanesulfonate (PFOS) surfactant anions, once released, may rapidly reach remote regions. This phenomenon is puzzling because the water-bound anions of strong F-alkyl acids should be largely transported by slow oceanic currents. Herein, we investigate whether these hydrophobic F-alkyl oxoanions would behave anomalously under environmental conditions, as suggested elsewhere. Negative electrospray ionization mass spectra of micromolar aqueous PFO or PFOS solutions from pH 1.0 to 6.0 show (1) m/z = 499 (PFOS) signals that are independent of pH and (2) m/z = 413 (PFO) and 369 (PFO - CO(2)) signals, plus m/z = 213 (C(3)F(7)CO(2)(-)) and 169 (C(3)F(7)(-)) signals at higher collision energies, and, below pH similar to 4, m/z = 827 signals from a remarkably stable (PFO)(2)H(-) cluster that increase with decreasing pH. Since the SUM of the m/z = 369, 413, and 827 signal intensities is independent of pH, that is, effectively encompasses all major species, we infer that pK(a)(PFOSA) < 1.0 and pK(a)(PFOA) < 1.0. We also derive K(2) <= 4 x 10(7) M(-2) for the clustering equilibrium 2PFO + H(+) (sic) (PFO)(2)H. Thus, although (PFO)2H is held together by an exceptionally strong homonuclear covalent hydrogen bond, neither PFOS nor PFO will associate or protonate significantly at environmentally relevant subnanomolar concentrations above pH similar to 1.

The "refereed" or "peer review" status of a journal comes from the Ulrichsweb Global Serials Directory (http://ulrichsweb.serialssolutions.com/), as supplied by the publisher. The term refers to the system of critical evaluation of manuscripts/articles by professional colleagues or peers. The content of refereed publications is sanctioned, vetted, or otherwise approved by a peer-review or editorial board. The peer-review and evaluation system is utilized to protect, maintain, and raise the quality of scholarly material published in serials. Publications subject to the referee process are assumed, then, to contain higher quality content than those that are not.
Peer Reviewed Journal Article

Experimental determination of Henry's law constant of perfluorooctanoic acid (PFOA) at 298K by means of an inert-gas stripping method with a helical plate: Supplementary materials

Authors: Kutsuna, S; Hori, H (2008) Atmospheric Environment 42. [Supplemental Data] HERO ID: 3986419

Abstract: Supplementary materials

The "refereed" or "peer review" status of a journal comes from the Ulrichsweb Global Serials Directory (http://ulrichsweb.serialssolutions.com/), as supplied by the publisher. The term refers to the system of critical evaluation of manuscripts/articles by professional colleagues or peers. The content of refereed publications is sanctioned, vetted, or otherwise approved by a peer-review or editorial board. The peer-review and evaluation system is utilized to protect, maintain, and raise the quality of scholarly material published in serials. Publications subject to the referee process are assumed, then, to contain higher quality content than those that are not.
Peer Reviewed Journal Article

Experimental determination of Henry's law constant of perfluorooctanoic acid (PFOA) at 298K by means of an inert-gas stripping method with a helical plate

Authors: Kutsuna, S; Hori, H (2008) Atmospheric Environment 42:8883-8892. HERO ID: 611253

[Less] The Henry''s law constant (K H) of perfluorooctanoic acid (PFOA, C7F15C(O)OH) was determined at 298K . . . [More] The Henry''s law constant (K H) of perfluorooctanoic acid (PFOA, C7F15C(O)OH) was determined at 298K in aqueous sulfuric acid solutions and in aqueous sodium chloride and sulfuric acid mixtures by an inert-gas stripping method in which a helical plate was used to increase the residence time of the gas bubbles in the solutions. The partial pressures of C7F15C(O)OH in the purge gas (P PFOA) were determined by means of Fourier-transform infrared spectroscopy. Time-courses of P PFOA and concentrations of PFOA in the test solutions (C PFOA) differed from those typically obtained by an inert-gas stripping, indicating both the presence of C7F15C(O)OH aggregates, even at low concentrations of C7F15C(O)OH in aqueous sulfuric acid solutions, and the adsorption of gaseous C7F15C(O)OH on the walls of the experimental apparatus. We derived overall gas-to-water partition coefficients (K H′) by simulating the time-courses of P PFOA and C PFOA simultaneously to optimize parameters of the model relating to the partitioning, the aggregation, and the adsorption. The K H′ value for 0.31moldm−3 sulfuric acid solutions at 298K was determined at 3.8±0.1moldm−3 atm−1. From the relationship between K H′ and the ionic strength of aqueous sulfuric acid solutions, the K H values of C7F15C(O)OH at 298K were determined at 9.9±1.5moldm−3 atm−1 for pK a =2.8 and 5.0±0.2moldm−3 atm−1 for pK a =1.3. The pK a value of 1.3 seems to be most probable among the reported three values for C7F15C(O)OH, taking into account dependence of K H′ on... [Copyright 2008 Elsevier] Copyright of Atmospheric Environment is the property of Pergamon Press - An Imprint of Elsevier Science and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts)

The "refereed" or "peer review" status of a journal comes from the Ulrichsweb Global Serials Directory (http://ulrichsweb.serialssolutions.com/), as supplied by the publisher. The term refers to the system of critical evaluation of manuscripts/articles by professional colleagues or peers. The content of refereed publications is sanctioned, vetted, or otherwise approved by a peer-review or editorial board. The peer-review and evaluation system is utilized to protect, maintain, and raise the quality of scholarly material published in serials. Publications subject to the referee process are assumed, then, to contain higher quality content than those that are not.
Peer Reviewed Journal Article

Vapor pressures of perfluorooctanoic, -nonanoic, -decanoic, -undecanoic, and -dodecanoic acids

Authors: Kaiser, MA; Larsen, BS; Kao, CPC; Buck, RC (2005) Journal of Chemical and Engineering Data 50:1841-1843. HERO ID: 3858963

[Less] A dynamic method was used to determine the vapor pressures of perfluorooctanoic, -nonanoic, -decanoic, . . . [More] A dynamic method was used to determine the vapor pressures of perfluorooctanoic, -nonanoic, -decanoic, -undecanoic, and -dodecanoic acids. Measurements were made over the temperature range from (59.25 to 190.80) degrees C for perfluorooctanoic acid, from (99.63 to 203.12) degrees C for perfluorononanoic acid, from (129.56 to 218.88) degrees C for perfluorodecanoic acid, from (112.04 to 237.65) degrees C for perfluoroundecanoic acid, and from (127.58 to 247.36) degrees C for perfluorododecanoic acid. Pressures ranged from (0.128 to 96.50) kPa for perfluorooctanoic acid, from (1.12 to 99.97) kPa for perfluorononanoic acid, from (3.129 to 99. 97) kPa for perfluorodecanoic acid, from (0.616 to 99.97) kPa for perfluoroundecanoic acid, and from (0.856 to 99.96) kPa for perfluorododecanoic acid. A sealed vial experiment demonstrated that perfluorooctanoic acid sublimes at room temperature.

Technical Report
Technical Report

Draft risk assessment of the potential human health effects associated with exposure to perfluorooctanoic acid and its salts [SAB review draft]

Author: U.S. EPA (2005) Office of Toxic Substances, Office of Pollution Prevention and Toxics. HERO ID: 1332679


Technical Report
Technical Report

Environmental Risk Evaluation Report: Perfluorooctanesulphonate (PFOS)

Authors: Brooke, D; Footitt, A; Nwaogu TA (2004) Environment Agency, UK. HERO ID: 3982554


Technical Report
Technical Report

Environmental and health assessment of perfluorooctane sulfonic acid and its salts

Author: 3M (2003) HERO ID: 3982553