Basic information
- CAS
32954-43-1- Standard SMILES
CCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)[O-]- InChIKey
OTKWLUKIHNEGIG-UHFFFAOYSA-N- Molecular formula
- C23H46N2O3
- Average molar mass
- 398.6 g/mol
- Monoisotopic mass
- 398.35084333
Overview
The CIR Expert Panel concluded that the following ingredients are safe in cosmetics as long as they are formulated to be non-sensitizing, which may be based on a QRA...Palmitamidopropyl Betaine...
Names & identifiers
- Preferred name
- Pendecamaine
- IUPAC
- 2-[3-(hexadecanoylamino)propyl-dimethylazaniumyl]acetate
- English name
- pendecamaine
- Molecular formula
- C23H46N2O3
- Molecular weight
- 398.63
Names & synonyms
PendecamainePendecamainaPalmitamidopropyl betainePendecamainum3-Palmitoylamidopropyl betainePendecamaine [INN:BAN]Pendecamainum [INN-Latin]Pendecamaina [INN-Spanish]WP8C6WF33SN-Palmitoylamidopropyl-N,N-dimethylbetaineEINECS 251-306-8PENDECAMAINE [INN]
Show more names
2-(Dimethyl(3-palmitamidopropyl)ammonio)acetate2-[3-(Hexadecanoylamino)propyldimethylaminio]acetateN-(Carboxylatomethyl)-N,N-dimethyl-3-(hexadecanoylamino)propane-1-aminiumN-Carboxylatomethyl-N,N-dimethyl-3-[(1-oxohexadecyl)amino]-1-propanaminium1-Propanaminium, N-(carboxymethyl)-N,N-dimethyl-3-(1-oxohexadecyl)amino-, inner salt
Pendecamainum (INN-Latin)Pendecamaina (INN-Spanish)PENDECAMAINE [MART.]DTXSID30677341-Propanaminium, N-(carboxymethyl)-N,N-dimethyl-3-[(1-oxohexadecyl)amino]-, inner salt1-Propanaminium, N-(carboxymethyl)-N,N-dimethyl-3-((1-oxohexadecyl)amino)-, inner saltPENDECAMAINE (MART.)1-Propanaminium, N-(carboxymethyl)-N,N-dimethyl-3-((1-oxohexadecyl)amino)-, hydroxide, inner salt
Database identifiers
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 69.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 19
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 392
Experimental & physicochemical properties
Cosmetics
Cosmetic ingredients (Palmitamidopropyl Betaine) -> CIR (Cosmetic Ingredient Review)
Surfactant; Cleansing; Antistatic; Foam boosting; Skin conditioning; Hair conditioning
Personal care product
Physical DescriptionLiquid; CBI
Physicochemical properties
- solubility
- Chloroform (Slightly, Heated), Methanol (Slightly)
- form
- Solid
- color
- White to Off-White
- Stability
- Hygroscopic
- Cosmetics Ingredients Functions
- SURFACTANT - FOAM BOOSTINGHAIR CONDITIONINGSKIN CONDITIONINGSURFACTANT - CLEANSINGCLEANSINGANTISTATIC
- Cosmetic Ingredient Review (CIR)
- pendecamaine (32954-43-1)
- LogP
- 2.44 · 2.440 (est)
- EWG's Food Scores
- 1 · 1-3
- FDA UNII
- 8 C6WF33S · WP8C6WF33S
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 ClassificationNot Classified
Hazard information
Regulatory Information
Chemical: 1-Propanaminium, N-(carboxymethyl)-N,N-dimethyl-3-[(1-oxohexadecyl)amino]-, inner salt
1-Propanaminium, N-(carboxymethyl)-N,N-dimethyl-3-[(1-oxohexadecyl)amino]-, inner salt is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Propanaminium, N-(carboxymethyl)-N,N-dimethyl-3-[(1-oxohexadecyl)amino]-, inner salt 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)
1-Propanaminium, N-(carboxymethyl)-N,N-dimethyl-3-(1-oxohexadecyl)amino-, inner 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.
EPA Safer ChemicalChemical: 1-Propanaminium, N-(carboxymethyl)-N,N-dimethyl-3-[(1-oxohexadecyl)amino]-, inner salt
Toxicology
Toxicity Summary
The CIR Expert Panel concluded that the following ingredients are safe in cosmetics as long as they are formulated to be non-sensitizing, which may be based on a QRA...Palmitamidopropyl Betaine...
Safe for use in cosmetics, with qualifications
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
Chemistry & industry
Uses & manufacturing
UsesCIR ingredient: Palmitamidopropyl Betaine
U.S. Production2023: 850,000 - <1,000,000 lb
Consumer UsesSurfactant (surface active agent)
Industry UsesSurfactant (surface active agent)
Use Classification
EPA Safer Chemical Functional Use Classes -> Surfactants
Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern
Cosmetics -> Surfactant; Cleansing; Antistatic; Foam boosting; Skin conditioning; Hair conditioning
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
1-Propanaminium, N-(carboxymethyl)-N,N-dimethyl-3-[(1-oxohexadecyl)amino]-, inner salt: ACTIVE
Applications
UsesPalmitoylamide Propylbetaine is an analog of Lauroylamide Betaine (L178620), used cosmetic and hair compositions of enhanced viscosity and clarity.
Suppliers5 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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