Beta-Alanine Diacetic Acid
Basic information
- CAS
6245-75-6- Standard SMILES
O=C(O)CCN(CC(=O)O)CC(=O)O- InChIKey
UWRBFYBQPCJRRL-UHFFFAOYSA-N- Molecular formula
- C7H11NO6
- Average molar mass
- 205.17 g/mol
- Monoisotopic mass
- 205.05863707
Overview
The Expert Panel for Cosmetic Ingredient Safety concluded that the available data are insufficient to make a determination that Beta-Alanine Diacetic Acid is safe under the intended conditions of use in cosmetic formulations.
Names & identifiers
- Preferred name
- Beta-Alanine Diacetic Acid
- IUPAC
- 3-[bis(carboxymethyl)amino]propanoic acid
- English name
- N-(2-Carboxyethyl)iminodiacetic acid
- Molecular formula
- C7H11NO6
- Molecular weight
- 205.17
Names & synonyms
6245-75-6beta-alanine diacetic acidN,N-Bis(carboxymethyl)-beta-alanine.beta.-Alanine, N,N-bis(carboxymethyl)-EINECS 228-360-6KOU355F9Z2NITRILO(3-PROPIONIC)DIACETIC ACIDTRILON GSDTXSID80746073-(BIS(CARBOXYMETHYL)AMINO)PROPIONIC ACID.BETA.-ALANINE DIACETIC ACIDbeta-Alanine, N,N-bis(carboxymethyl)-
Show more names
B-Alanine-N,N-diacetic acidNITRILODIACETIC-PROPIONIC ACIDn,n-bis(carboxymethyl)-β-alanineN,N-Bis(carboxymethyl)-beta-alaninβ-Alanine, N,N-bis(carboxymethyl)-carboxyethyldimethylsulfoniumchlorideN-(2-Carboxyethyl)iminodiaceticAcid>3-(BIS(CARBOXYMETHYL)AMINO)PROPANOIC ACID
BETA-ALANINE DIACETIC ACID [INCI]N,N-BIS(CARBOXYMETHYL)-.BETA.-ALANINEACETIC ACID, 2,2'-((2-CARBOXYETHYL)IMINO)BIS-RefChem:567111DTXCID9043352228-360-6N-(2-Carboxyethyl)iminodiacetic acidN-(2-CARBOXYETHYL)IMINODIACETICACID
Database identifiers
- CAS
6245-75-6
Properties
Computed structural properties
- XLogP
- -3.3
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 222
Experimental & physicochemical properties
Cosmetics
Cosmetic ingredients (Beta-Alanine Diacetic Acid) -> CIR (Cosmetic Ingredient Review)
Chelating
Physicochemical properties
- Melting point
- 195 °C · ~195 °C (dec.)
- Boiling point
- 495.8 · 495.8±40.0 °C(Predicted)
- Density
- 1.517 · 1.517±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 1.77 · 1.77±0.10(Predicted)
- form
- powder to crystal
- color
- White to Almost white
- Cosmetics Ingredients Functions
- CHELATING
- LogP
- -0.417 · -0.417 (est)
- FDA UNII
- 355 F9Z2 · KOU355F9Z2
- EPA Substance Registry System
- .beta.-Alanine, N,N-bis(carboxymethyl)- (6245-75-6)
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: .beta.-Alanine, N,N-bis(carboxymethyl)-
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Toxicology
Toxicity Summary
The Expert Panel for Cosmetic Ingredient Safety concluded that the available data are insufficient to make a determination that Beta-Alanine Diacetic Acid is safe under the intended conditions of use in cosmetic formulations.
The available data are insufficient to support safety
Safety data
- wgk
- 1
- tsca
- TSCA listed
- hs_code
- 2922.49.8000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
Chemistry & industry
Uses & manufacturing
UsesCIR ingredient: Beta-Alanine Diacetic Acid
Use ClassificationCosmetics -> Chelating
General Manufacturing Information.beta.-Alanine, N,N-bis(carboxymethyl)-: ACTIVE
Applications
UsesN-(2-CARBOXYETHYL)IMINODIACETIC ACID is complexing agents, have far superior biodegradability compared to EDTA.
Suppliers
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Related reactions
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Compound notes
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