Basic information
- CAS
15899-29-3- Standard SMILES
O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F- InChIKey
QTDMKZFMFHHSLJ-UHFFFAOYSA-N- Molecular formula
- C7HF13O2
- Average molar mass
- 364.06 g/mol
- Monoisotopic mass
- 363.9768954
Names & identifiers
- Preferred name
- Hexanoic acid, 2,2,3,3,4,4,5,6,6,6-decafluoro-5-(trifluoromethyl)-
- IUPAC
- 2,2,3,3,4,4,5,6,6,6-decafluoro-5-(trifluoromethyl)hexanoic acid
- English name
- 2,2,3,3,4,4,5,6,6,6-decafluoro-5-(trifluoromethyl)hexanoic acid
- Molecular formula
- C7HF13O2
- Molecular weight
- 364.06
Names & synonyms
2,2,3,3,4,4,5,6,6,6-Decafluoro-5-(trifluoromethyl)hexanoic acid15899-29-3EINECS 240-035-0Hexanoic acid, 2,2,3,3,4,4,5,6,6,6-decafluoro-5-(trifluoromethyl)-RefChem:787280240-035-0Perfluoro-5-(trifluoromethyl)hexanoic acidGLH5BV5WKEDTXSID7065968SCHEMBL28642164NS00011263Hexanoic acid, decafluoro-5-(trifluoromethyl)-
Database identifiers
- CAS
15899-29-3- PubChem CID
- 85175
- DTXSID
DTXSID7065968- UNII
- GLH5BV5WKE
- EC Number
- 240-035-0
- Nikkaji
- J219.891F
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 430
Experimental & physicochemical properties
PFAS
PFAS -> OECD Category
PFAS -> Other/unspecified
PFAS -> Other/unspecified
PFAS -> Other/unspecified
Physicochemical properties
- FDA UNII
- 5 BV5WKE · GLH5BV5WKE
- EPA Substance Registry System
- 2 · Hexanoic acid, 2,2,3,3,4,4,5,6,6,6-decafluoro-5-(trifluoromethyl)- (15899-29-3)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationS - indicates a substance that is identified in a final Significant New Use Rule.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing InformationHexanoic acid, 2,2,3,3,4,4,5,6,6,6-decafluoro-5-(trifluoromethyl)-: INACTIVE
Suppliers2 total
泰州市众致生物科技有限公司[email protected] 15066129350 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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