2-Aminoethanol;benzoic acid
Basic information
- CAS
4337-66-0- Standard SMILES
NCCO.O=C(O)c1ccccc1- InChIKey
WUGCLPOLOCIDHW-UHFFFAOYSA-N- Molecular formula
- C9H13NO3
- Average molar mass
- 183.2 g/mol
- Monoisotopic mass
- 183.08954328
Overview
The CIR Expert Panel concluded that ethanolamine and the 12 related ethanolamine salts, listed below, are safe in the present practices of use and concentration described in this safety assessment (rinse-off products only) when formulated to be non-irritating. The Panel cautioned that ingredients should not be used in cosmetic products in which N-nitroso compounds may be formed...MEA-Benzoate...
Names & identifiers
- Preferred name
- 2-Aminoethanol;benzoic acid
- IUPAC
- 2-aminoethanol;benzoic acid
- English name
- benzoic acid, compound with 2-aminoethanol (1:1)
- Molecular formula
- C9H13NO3
- Molecular weight
- 183.20442
Names & synonyms
2-aminoethanol;benzoic acid86912-67-6MEA-BENZOATESCHEMBL595706WUGCLPOLOCIDHW-UHFFFAOYSA-NBENZOIC ACID ETHANOLAMINE SALTAKOS024392543NS00081723Q272958872-Aminoethanol benzoateMonoethaneaMine benzoate2-Aminoethan-1-ol benzoate
Show more names
benzoate of monoethanolamine2-Aminoethanol benzoate (salt)2-hydroxyethylazanium,benzoate2-Aminoethan-1-ol benzoate saltEthanol, 2-amino-, benzoate (1:1)Ethanol, 2-amino-, benzoate (salt)benzoicacid,compoundwith2-aminoethanol
Database identifiers
- CAS
4337-66-0- PubChem CID
- 11535682
- UNII
- ZTZ1PN1WPQ
Properties
Computed structural properties
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 113
Experimental & physicochemical properties
Cosmetics
Cosmetic ingredients (MEA-Benzoate) -> CIR (Cosmetic Ingredient Review)
Preservative
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
- TSCA
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Toxicology
Toxicity Summary
The CIR Expert Panel concluded that ethanolamine and the 12 related ethanolamine salts, listed below, are safe in the present practices of use and concentration described in this safety assessment (rinse-off products only) when formulated to be non-irritating. The Panel cautioned that ingredients should not be used in cosmetic products in which N-nitroso compounds may be formed...MEA-Benzoate...
Safe for use in cosmetics, with qualifications
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
UsesCIR ingredient: MEA-Benzoate
Use ClassificationCosmetics -> Preservative
Applications
DescriptionMEA-Benzoate is the salt of monoethanolamine and Benzoic Acid.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…