Basic information
- CAS
21615-47-4- Standard SMILES
N.O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
OWCNWICUDXNCTI-UHFFFAOYSA-N- Molecular formula
- C6HF11O2.H3N
- Average molar mass
- 331.08 g/mol
- Monoisotopic mass
- 331.00663815
Names & identifiers
- Preferred name
- Ammonium undecafluorohexanoate
- IUPAC
- azane;2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoic acid
- English name
- ammonium undecafluorohexanoate
- Molecular formula
- C6H4F11NO2
- Molecular weight
- 331.09
Names & synonyms
Ammonium undecafluorohexanoateHexanoic acid, undecafluoro-, ammonium saltHexanoic acid, 2,2,3,3,4,4,5,5,6,6,6-undecafluoro-, ammonium salt (1:1)RefChem:557859244-479-621615-47-4azane;2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoic acidSCHEMBL22000742VKP87K8HPerfluorocaproic acid ammonium saltFA79593Einecs 244-479-6
Show more names
Ammonium perfluorohexanoateAmmonium perfluorohexanoatein MethanolUndecafluorohexanoic acid,ammonium saltUndecafluorohexanoic acid, ammonium saltHexanoic acid,undecafluoro-,ammonium salt
Database identifiers
- CAS
21615-47-4- PubChem CID
- 88971
- UNII
- 42VKP87K8H
- EC Number
- 244-479-6
Properties
Computed structural properties
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 368
Experimental & physicochemical properties
PFAS
PFAS -> Perfluoroalkyl acids (PFAAs)
PFAS -> OECD Category
PFAS
Physicochemical properties
- Density
- 1.786 · 1.786[at 20℃]
- vapor pressure
- 0.004 Pa · 0.004Pa at 25℃
- pka
- 3.29 · 3.29[at 20 ℃]
- Water Solubility
- 57.61 g/L · 57.61g/L at 20℃
- LogP
- 1.5 at · 1.5 at 25℃
- FDA UNII
- 42 VKP87K8H · 42VKP87K8H
- EPA Substance Registry System
- Ammonium perfluorohexanoate (21615-47-4)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Warning
- Hazard statements
- 314 · H314-H318-H317-H302
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]
Hazard information
Regulatory Information
Chemical: Hexanoic acid, undecafluoro-, ammonium salt
REACH registered substance: Ammonium undecafluorohexanoate (EC: 244-479-6)
Other Safety InformationIMAP assessments - Short-chain perfluorocarboxylic acids and their direct precursors: Environment tier II assessment
Hazard Classes and Categories
Acute Tox. 4 (33.3%)
Eye damage - category 1
Toxicology
RAIS Toxicity Values
0.0005
IRIS Current
0.0005
IRIS Current
USGS Health-Based Screening Levels for Evaluating Water-Quality
Perfluorohexanoate, ammonium (PFHxA salt)
PFAS
3
Chemistry & industry
Uses & manufacturing
Uses• Processing aid [Ref: https://doi.org/10.1016/j.envint.2013.08.021]
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing InformationHexanoic acid, 2,2,3,3,4,4,5,5,6,6,6-undecafluoro-, ammonium salt (1:1): ACTIVE
Suppliers8 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海比阳实业有限公司+86-21-52699951; +8613917686115 · [email protected]
上海比阳实业有限公司+86-15021878111 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
曼哈格（上海）生物科技有限公司400-818 0104 18918165978 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Henan Allgreen Chemical Co.,LTD+86-37155567971 +86-13633837469 · [email protected]
山东彬睿特新材料有限公司0533-2866658 15615638350 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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