Ethanol, 2-(diethylamino)-, benzoate (1:1)
Basic information
- CAS
68052-36-8- Standard SMILES
CCN(CC)CCO.O=C(O)c1ccccc1- InChIKey
HJCAIQANKIFKSW-UHFFFAOYSA-N- Molecular formula
- C13H21NO3
- Average molar mass
- 239.31 g/mol
- Monoisotopic mass
- 239.15214353
Names & identifiers
- Preferred name
- Ethanol, 2-(diethylamino)-, benzoate (1:1)
- IUPAC
- benzoic acid;2-(diethylamino)ethanol
Names & synonyms
Diethylethanolamine benzoateEINECS 268-318-4Ethanol, 2-(diethylamino)-, benzoate (salt)Benzoic acid, compound with 2-(diethylamino)ethanol (1:1)DTXSID1071036Ethanol, 2-(diethylamino)-, benzoate (1:1)RefChem:138289DTXCID5045469268-318-468052-36-8HJCAIQANKIFKSW-UHFFFAOYSA-NNS00092016
Show more names
Benzoic acid--2-(diethylamino)ethan-1-ol (1/1)
Database identifiers
- CAS
68052-36-8- PubChem CID
- 176191
- DTXSID
DTXSID1071036- EC Number
- 268-318-4
Properties
Computed structural properties
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 147
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.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (54 of 54) of all reports.
Not Classified
Aggregated GHS information provided per 54 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Ethanol, 2-(diethylamino)-, benzoate (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanol, 2-(diethylamino)-, benzoate (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)
Hazard Classes and CategoriesNot Classified
Chemistry & industry
Uses & manufacturing
U.S. Production2023: <50,000 lb
Industry UsesCorrosion inhibitor
General Manufacturing Information
Paint and Coating Manufacturing
Ethanol, 2-(diethylamino)-, benzoate (1:1): ACTIVE
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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