Basic information
- CAS
58823-74-8- Standard SMILES
CCCCC(CC)C(=O)O.CCCCN(CCCC)CCCC- InChIKey
SCEKXRWFEURKLT-UHFFFAOYSA-N- Molecular formula
- C20H43NO2
- Average molar mass
- 329.6 g/mol
- Monoisotopic mass
- 329.32937961
Names & identifiers
- Preferred name
- Hexanoic acid, 2-ethyl-, compd. with N,N-dibutyl-1-butanamine (1:1)
- IUPAC
- N,N-dibutylbutan-1-amine;2-ethylhexanoic acid
Names & synonyms
58823-74-8DTXSID70886292EINECS 261-460-8RefChem:146191DTXCID101025626Tributylammonium 2-ethylhexanoateSCHEMBL58751692-Ethylhexanoic acid, compound with tributylamine (1:1)SCEKXRWFEURKLT-UHFFFAOYSA-N2-Ethylhexanoic acid--N,N-dibutylbutan-1-amine (1/1)
Database identifiers
- CAS
58823-74-8- PubChem CID
- 100855
- DTXSID
DTXSID70886292- EC Number
- 261-460-8
Properties
Computed structural properties
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 14
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 172
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Amines, Aliphatic
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
This chemical does not meet GHS hazard criteria for 20.8% (5 of 24) of reports.
Danger
H360D (79.2%): May damage the unborn child [Danger Reproductive toxicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 24 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationHexanoic acid, 2-ethyl-, compd. with N,N-dibutyl-1-butanamine (1:1): Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards SummarySee Tributylamine and 2-Ethylhexanoic acid.
Hazard Classes and CategoriesRepr. 1B (79.2%)
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationHexanoic acid, 2-ethyl-, compd. with N,N-dibutyl-1-butanamine (1:1): ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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