Ammonium perfluorooctanoate

HCID 2776282
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Basic information

CAS
3825-26-1
Standard 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)F.[NH4+]
InChIKey
YOALFLHFSFEMLP-UHFFFAOYSA-N
Molecular formula
C8HF15O2.H3N
Average molar mass
431.1 g/mol
Monoisotopic mass
431.00025167

Names & identifiers

Preferred name
Ammonium perfluorooctanoate
IUPAC
azanium 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate
English name
Perfluorooctanoic acid ammonium salt
Molecular formula
C8HF15O2.H3N
Molecular weight
431.1

Names & synonyms

Ammonium perfluorooctanoate3825-26-1Ammonium pentadecafluorooctanoateAmmonium perfluorocaprylateFluorad FC 143Ammonium perfluorocaprilatePerfluoroammonium octanoateOctanoic acid, pentadecafluoro-, ammonium saltFC-143DTXSID8037708Perfluorooctanoic acid, ammonium saltE904OF18PS
Show more names
ds101PFOA-NH4Nsc35120LINEARAPFOBRANCHEDAPFOfluoradfc143unidyneds101FLUORADFC-118Perflurooctane d ammonium
DTXCID6017708CXR-1002NSC-35120Octanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-, ammonium salt (1:1)APFORefChem:112194DTXSID601344239223-320-4

Database identifiers

CAS
3825-26-1
PubChem CID
2776282
DTXSID
DTXSID8037708
UNII
E904OF18PS
EC Number
223-320-4

Properties

Computed structural properties

Topological polar surface area
41.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
17
Rotatable bonds
5
Heavy atoms
26

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Perfluoroalkyl Acids
PFAS · 4 items

PFAS -> Intentionally added food contact chemicals

PFAS -> Other/unspecified

PFAS -> Perfluoroalkyl acids (PFAAs)

PFAS -> Other/unspecified

Endocrine DisruptorsPotential endocrine disrupting compound
Vapor Pressure0.00007 [mmHg]
Physical DescriptionWhite powder; [ACGIH]

Physicochemical properties

Melting point
163 · 163-165(dec.)
Density
1 · 1,163 g/cm3
solubility
2 O: · H2O: 0.1 g/mL, clear, colorless
form
Solid
BRN
4286466 · 4286466
InChI
InChI=1S/C8HF15O2.H3N/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23;/h(H,24,25);1H3

Safety & regulation

GHS classification

GHS Classification · 6 items

Danger

H302: Harmful if swallowed [Warning Acute toxicity, oral]

P203, P260, P261, P263, P264, P264+P265, P270, P271, P280, P301+P317, P304+P340, P305+P354+P338, P317, P318, P319, P330, P405, and P501 (click each P-code to see the statement)

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P260, P261, P263, P264, P264+P265, P270, P271, P280, P301+P317, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P318, P319, P321, P330, P337+P317, P403+P233, P405, and P501 (click each P-code to see the statement)

Hazard information

Regulatory Information · 6 items

Chemical: Octanoic acid, pentadecafluoro-, ammonium salt

Hazard Traits - Bioaccumulation; Environmental Persistence; Reproductive Toxicity

Regulation (EC) No 1935/2004 (amended)

S - indicates a substance that is identified in a final Significant New Use Rule.

Substance: Ammonium pentadecafluorooctanoate (APFO)

Substance: Ammonium pentadecafluorooctanoate

Other Safety InformationIMAP assessments - Perfluorooctanoic acid (PFOA) and its direct precursors: Environment tier II assessment
Hazards Summary · 1 item

Acute pulmonary edema is observed in animals exposed to lethal concentrations. [ChemIDplus] Confirmed animal carcinogen; Increased blood organofluoride levels in rats receiving repeated doses percutaneously; Workers found to have higher organofluoride levels that controls in plant with air concentrations of 0.032-7.6 mg/m3; Causes liver damage in subchronic animal studies; [ACGIH] See Perfluorooctanoic acid. See Perfluorooctane sulfonic acid.

Hazard Classes and Categories · 6 items

Acute Tox. 4 (100%)

Acute toxicity - category 3

Acute toxicity (Oral) - Category 4

Reproductive toxicity - Category 1A, Additional category: Effects on or via lactation

Carcinogenicity - Category 2

Carc. 2

Safety & protection

Threshold Limit Values (TLV)0.01 [mg/m3]

Toxicology

Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
Toxicity DataLC50 (rat) = 980 mg/m3/4H
RAIS Toxicity Values · 6 items

3e-08

DWSHA

3e-08

DWSHA

29300

DWSHA

Hazard Quotient Level 0.1 or Cancer Risk Level 1E-06 · 6 items

1.9e-05

7.8e-05

2.7e-06

1.00e+00

4e-08

2.93e+04

Hazard Quotient Level 3 or Cancer Risk Level 1E-04 · 6 items

1.90e-03

7.80e-03

2.70e-04

1.00e+00

2.93e+04

3e-08

Safety data

F
3-10
PPE
dust mask type N95 (US), Eyeshields, Faceshields, Gloves
wgk
2
tsca
TSCA listed
rtecs
RH0782000
ridadr
UN 2811 6.1/PG 3

Chemistry & industry

Pharmacology

Biological Half-LifeOrganofluoride compounds: 1-2 years; [ACGIH]

Uses & manufacturing

Uses · 2 items

Used to polymerize fluorinated monomers; [ACGIH]

• PFA processing aid [Ref: https://doi.org/10.1016/j.envint.2013.08.021]

General Manufacturing InformationOctanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-, ammonium salt (1:1): ACTIVE

Applications

UsesPolymerization of fluorinated monomers; surfactant

UsesFor polymerization of fluorinated monomers.

Upstream & downstream products

Downstream products

Suppliers87 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
江西益众化工有限公司15307925109 15350027073 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Related reactions

4 records
New reaction record

Compound notes

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