1-Propanaminium, 2-hydroxy-N,N,N-trimethyl-, 2-ethylhexanoate (1:1)
Basic information
- CAS
62314-22-1- Standard SMILES
CC(O)C[N+](C)(C)C.CCC(C)CCCC(=O)[O-]- InChIKey
ALZOAPFBIJYQNI-UHFFFAOYSA-M- Molecular formula
- C8H15O2.C6H16NO
- Average molar mass
- 261.4 g/mol
- Monoisotopic mass
- 261.23039385
Names & identifiers
- Preferred name
- 1-Propanaminium, 2-hydroxy-N,N,N-trimethyl-, 2-ethylhexanoate (1:1)
- IUPAC
- 2-hydroxypropyl(trimethyl)azanium;5-methylheptanoate
- English name
- (2-hydroxypropyl)trimethylammonium 2-ethylhexanoate
- Molecular formula
- C14H31NO3
- Molecular weight
- 261.40084
Names & synonyms
EINECS 263-502-01-Propanaminium, 2-hydroxy-N,N,N-trimethyl-, 2-ethylhexanoate (1:1)1-Propanaminium, 2-hydroxy-N,N,N-trimethyl-, salt with 2-ethylhexanoic acid (1:1)RefChem:435934DTXCID70102580062314-22-1DTXSID908864762-hydroxypropyl-trimethyl-azanium; 5-methylheptanoate2-hydroxypropyl(trimethyl)azanium;5-methylheptanoateSCHEMBL2791732ALZOAPFBIJYQNI-UHFFFAOYSA-M(2-hydroxypropyl)trimethylammonium 2-ethylhexanoate
Show more names
2-hydroxypropyl(trimethyl)azanium,5-methylheptanoate
Database identifiers
- CAS
62314-22-1- PubChem CID
- 112480
Properties
Computed structural properties
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 159
Experimental & physicochemical properties
Physical DescriptionLiquid
Physicochemical properties
- Density
- 0.986 · 0.986[at 20℃]
- vapor pressure
- 80 Pa · 80Pa at 21.1℃
- Water Solubility
- 200 g/L · 200g/L at 20℃
- LogP
- 1.2 at · 1.2 at 22℃
- EPA Substance Registry System
- 2 · (2-Hydroxypropyl)trimethylammonium 2-ethylhexanoate (62314-22-1)
- Symbol(GHS)
- 8 · GHS08,GHS05
- Signal word
- Warning
- Hazard statements
- 361 · H361-H314
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P201-P202-P281-P308+P313-P405-P501
- TSCA
- TSCA listed
- REACH Registrations
- Active
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 Information
Chemical: 1-Propanaminium, 2-hydroxy-N,N,N-trimethyl-, salt with 2-ethylhexanoic acid (1:1)
1-Propanaminium, 2-hydroxy-N,N,N-trimethyl-, 2-ethylhexanoate (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Propanaminium, 2-hydroxy-N,N,N-trimethyl-, 2-ethylhexanoate (1:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
1-Propanaminium, 2-hydroxy-N,N,N-trimethyl-, salt with 2-ethylhexanoic acid (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.
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS08,GHS05
- Hazard statements
- H361-H314
- REACH Registrations
- Active
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P201-P202-P281-P308+P313-P405-P501
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 250,000 - <550,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesChemical reaction regulator
General Manufacturing Information
Plastics Product Manufacturing
1-Propanaminium, 2-hydroxy-N,N,N-trimethyl-, 2-ethylhexanoate (1:1): ACTIVE
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Related reactions
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Compound notes
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