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Merck
CN

33824

Pentadecafluorooctanoic acid

analytical standard

Synonym(s):

PFAS, PFOA, Perfluorocaprylic acid, Perfluorooctanoic acid

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About This Item

Linear Formula:
CF3(CF2)6COOH
CAS Number:
335-67-1
Molecular Weight:
414.07
UNSPSC Code:
85151701
NACRES:
NA.24
PubChem Substance ID:
329754663
EC Number:
206-397-9
Beilstein/REAXYS Number:
1809678
MDL number:
MFCD00004174

Key Documents

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InChI

1S/C8HF15O2/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)

SMILES string

OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

InChI key

SNGREZUHAYWORS-UHFFFAOYSA-N

grade

analytical standard

agency

suitable for ASTM® 7968, suitable for ASTM® 7979, suitable for DIN 38407-42, suitable for EPA 1633, suitable for EPA 533, suitable for EPA 537.1, suitable for EPA 8327, suitable for EPA ACB B21-02, suitable for EPA ACB B23-05b, suitable for EPA OTM-45, suitable for GB 31604.35-2016, suitable for GB 5009.253-2016, suitable for ISO 21675 2019, suitable for ISO 25101

reg. compliance

suitable for FDA C-010.02

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

bp

189 °C/736 mmHg (lit.)

mp

55-56 °C (lit.)

application(s)

PFAS testing
cleaning products
cosmetics
environmental
food and beverages
personal care

format

neat

Quality Level

100

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Application

Pentadecafluorooctanoic acid may be used as an ion pair reagent in the determination of underivatized amino acids in fermentation media using liquid chromatography coupled with tandem mass spectrometry (LC-MS-MS).
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

General description

Pentadecafluorooctanoic acid is a perfluoroalkyl carboxylic acid, which is primarily used as an ion pair reagent.
This compound is listed in the SVHC (Substances of very high concern) candidate list of ECHA (European Chemicals Agency)

Legal Information

ASTM is a registered trademark of American Society for Testing and Materials

signalword

Danger

target_organs

Liver

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 3

ppe

Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges

Hazard Classifications

Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Carc. 2 - Eye Dam. 1 - Lact. - PBT - Repr. 1B - Skin Corr. 1C - STOT RE 1

Regulatory Information

监管及禁止进口产品
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Certificates of Analysis (COA)

Lot/Batch Number
BCCL8180
BCCL1957
BCCK7197
BCCH7915
BCCG9588

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Ion-pair reversed-phase liquid chromatography for determination of polar underivatized amino acids using perfluorinated carboxylic acids as ion pairing agent.
Petritis NK, et al.
Journal of Chromatography A, 833(2), 147-155 (1999)
Rapid determination of underivatized pyroglutamic acid, glutamic acid, glutamine and other relevant amino acids in fermentation media by LC-MS-MS.
Qu J, et al.
Analyst, 127(1), 66-69 (2002)
Mei-Huei Chen et al.
Epidemiology (Cambridge, Mass.), 24(6), 800-808 (2013-09-17)
Epidemiologic data regarding the potential neurotoxicity of perfluorinated compounds (PFCs) are inconclusive. We investigated the associations between in utero exposure to perfluorooctanoic acid (PFOA) and perfluorooctyl sulfonate (PFOS) and early childhood neurodevelopment. We recruited 239 mother-infant pairs in northern Taiwan
Anne Vested et al.
Environmental health perspectives, 121(4), 453-458 (2013-01-31)
Perfluorinated alkyl acids (PFAAs), persistent chemicals with unique water-, dirt-, and oil-repellent properties, are suspected of having endocrine-disrupting activity. The PFAA compounds perfluorooctanoic acid (PFOA) and perfluorooctane sulfonic acid (PFOS) are found globally in humans; because they readily cross the
A K Rosenmai et al.
Toxicology and applied pharmacology, 266(1), 132-142 (2012-11-13)
Polyfluoroalkyl phosphate surfactants (PAPS) are widely used in food contact materials (FCMs) of paper and board and have recently been detected in 57% of investigated materials. Human exposure occurs as PAPS have been measured in blood; however knowledge is lacking
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Articles

Obtaining Ultrapure Water for Sensitive PFAS Analysis by LC-MS

The article details the suitability of Milli-Q® water purification systems for effective removal of PFAS from water for reliable LC-MS/MS analyses.

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