Ethanol, 2-amino-, benzoate (1:1)
Basic information
- CAS
4337-66-0- Standard SMILES
O=C([O-])c1ccccc1.[NH3+]CCO- InChIKey
WUGCLPOLOCIDHW-UHFFFAOYSA-N- Molecular formula
- C7H6O2.C2H7NO
- Average molar mass
- 183.2 g/mol
- Monoisotopic mass
- 183.08954328
Names & identifiers
- Preferred name
- Ethanol, 2-amino-, benzoate (1:1)
- IUPAC
- 2-hydroxyethylazanium benzoate
- English name
- benzoic acid, compound with 2-aminoethanol (1:1)
- Molecular formula
- C9H13NO3
- Molecular weight
- 183.20442
Names & synonyms
4337-66-0Ethanol, 2-amino-, benzoate (salt)Benzoic acid, compound with 2-aminoethanol (1:1)ZTZ1PN1WPQDTXSID2063420RefChem:1084475DTXCID4040260224-387-2Ethanol, 2-amino-, benzoate (1:1)Monoethanolamine benzoate2-hydroxyethylazanium;benzoatebenzoic acid, compound with 2-aminoethanol (1
Show more names
2-Aminoethanol benzoateMonoethaneaMine benzoate2-Aminoethan-1-ol benzoatebenzoate of monoethanolamine2-Aminoethanol benzoate (salt)2-hydroxyethylazanium,benzoatebenzoicacid,compoundwith2-aminoethanol
Benzoic acid, ethanolamine saltUNII-ZTZ1PN1WPQEINECS 224-387-2Benzenecarboxylic acid, ethanolamine salt2-hydroxyethylammonium benzoate2-Aminoethan-1-ol benzoate salt2-Hydroxyethan-1-aminium benzoate
Database identifiers
- CAS
4337-66-0- PubChem CID
- 20343
- DTXSID
DTXSID2063420- EC Number
- 224-387-2
Properties
Computed structural properties
- Topological polar surface area
- 88 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 108
Experimental & physicochemical properties
CosmeticsPreservative
Physical DescriptionLiquid
Physicochemical properties
- Melting point
- 142 · 142-144℃ (ethanol )
- Cosmetics Ingredients Functions
- PRESERVATIVE
- InChI
- InChI=1S/C7H6O2.C2H7NO/c8-7(9)6-4-2-1-3-5-6;3-1-2-4/h1-5H,(H,8,9);4H,1-3H2
- InChIKey
- WUGCLPOLOCIDHW-UHFFFAOYSA-N
- SMILES
- [NH3+]CCO.C([O-])(=O)C1=CC=CC=C1
- FDA UNII
- 1 PN1WPQ · ZTZ1PN1WPQ
- EPA Substance Registry System
- 2 · Ethanol, 2-amino-, benzoate (salt) (4337-66-0)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318
- Precautionary statements
- 280 · 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
This chemical does not meet GHS hazard criteria for 99.3% (149 of 150) of all reports.
Not Classified
Aggregated GHS information provided per 150 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Benzoic acid, compound with 2-aminoethanol (1:1)
Ethanol, 2-amino-, benzoate (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanol, 2-amino-, 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)
Ethanol, 2-amino-, benzoate (salt): 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.
Other Safety InformationIMAP assessments - Benzoic acid, compound with 2-aminoethanol (1:1): Human health tier I assessment
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- Hazard statements
- H318
- Precautionary statements
- P280-P305+P351+P338-P310
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 50,000 - <250,000 lb
Industry UsesCorrosion inhibitor
Use ClassificationCosmetics -> Preservative
General Manufacturing Information
Paint and Coating Manufacturing
Ethanol, 2-amino-, benzoate (1:1): ACTIVE
Applications
DescriptionMEA-Benzoate is the salt of monoethanolamine and Benzoic Acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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