Octanoic acid, 2,2-dimethyl-, compd. with 2-aminoethanol (1:1)
Basic information
- CAS
68298-99-7- Standard SMILES
CCCCCCC(C)(C)C(=O)O.NCCO- InChIKey
DZSYKIJJEKAQER-UHFFFAOYSA-N- Molecular formula
- C12H27NO3
- Average molar mass
- 233.35 g/mol
- Monoisotopic mass
- 233.19909372
Names & identifiers
- Preferred name
- Octanoic acid, 2,2-dimethyl-, compd. with 2-aminoethanol (1:1)
- IUPAC
- 2-aminoethanol;2,2-dimethyloctanoic acid
Names & synonyms
EINECS 269-590-768298-99-7DTXSID4071398RefChem:167797DTXCID80458502,2-Dimethyloctanoic acid, compound with 2-aminoethanol (1:1)DZSYKIJJEKAQER-UHFFFAOYSA-N2,2-Dimethyloctanoic acid--2-aminoethan-1-ol (1/1)
Database identifiers
- CAS
68298-99-7- PubChem CID
- 176385
- DTXSID
DTXSID4071398- EC Number
- 269-590-7
Properties
Computed structural properties
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 149
Experimental & physicochemical properties
Physical DescriptionLiquid
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
Octanoic acid, 2,2-dimethyl-, compd. with 2-aminoethanol (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Octanoic acid, 2,2-dimethyl-, compd. with 2-aminoethanol (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)
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 4,500 lb
Industry UsesLubricating agent
General Manufacturing Information
Petroleum Lubricating Oil and Grease Manufacturing
Octanoic acid, 2,2-dimethyl-, compd. with 2-aminoethanol (1:1): ACTIVE
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Related reactions
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Compound notes
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