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307-55-1

307-55-1 structural image
Product Name: Perfluorododecanoic acid
Formula: C12HF23O2
Synonyms: Perfluorododecanoic acid;Perfluorolauric acid
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CHEMICAL AND PHYSICAL PROPERTIES

Collision Cross Section 171.5 Ų [M-H-CO2]- [CCS Type: DT; Buffer gas: N2; Dataset: PFAS] 191.37 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Dataset: PFAS]
Chemical Classes PFAS

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Exclamation Mark
Irritant
GHS07

Health Hazard
GHS08
GHS Hazard Statements H351:Carcinogenicity
H362:Reproductive toxicity, effects on or via lactation
H372:Specific target organ toxicity, repeated exposure
Precautionary Statement Codes P202:Do not handle until all safety precautions have been read and understood.
P260:Do not breathe dust/fume/gas/mist/vapours/spray.
P263:Avoid contact during pregnancy/while nursing.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P308+P313:IF exposed or concerned: Get medical advice/attention.

COMPUTED DESCRIPTORS

Molecular Weight 614.10 g/mol
XLogP3 7.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 25
Rotatable Bond Count 10
Exact Mass 613.9609270 g/mol
Monoisotopic Mass 613.9609270 g/mol
Topological Polar Surface Area 37.3 Ų
Heavy Atom Count 37
Formal Charge 0
Complexity 879
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Perfluorododecanoic acid is a fluoroalkanoic acid that is dodecanoic acid in which all of the hydrogens attached to carbon atoms are replaced by fluorines. It is a highly persistent, bioaccumulative breakdown product of stain- and grease-proof coatings on food packaging, soft furnishings and carpets. It has a role as an environmental contaminant. It is functionally related to a dodecanoic acid.