Basic information
- CAS
693-33-4- Standard SMILES
CCCCCCCCCCCCCCCC[N+](C)(C)CC(=O)[O-]- InChIKey
TYIOVYZMKITKRO-UHFFFAOYSA-N- Molecular formula
- C20H41NO2
- Average molar mass
- 327.5 g/mol
- Monoisotopic mass
- 327.31372955
Overview
The CIR Expert Panel concluded that the eleven alkyl betaines listed below are safe in the present practices of use and concentration in cosmetics, when formulated to be non-irritating...Cetyl Betaine...
Names & identifiers
- Preferred name
- n-(carboxymethyl)-n,n-dimethyl-1-hexadecanaminium hydroxide, inner salt
- IUPAC
- 2-[hexadecyl(dimethyl)azaniumyl]acetate
- English name
- HEXADECYLBETAINE
- Molecular formula
- C21H43NO2
- Molecular weight
- 341.57162
Names & synonyms
Cetyl betainePalmityldimethylbetaine1-Hexadecanaminium, N-(carboxymethyl)-N,N-dimethyl-, inner salt(Carboxylatomethyl)hexadecyldimethylammoniumEINECS 211-748-4BRN 3676787AMPHOSOL CDBMACKAM CETE945X08YA91-Hexadecanaminium, N-(carboxymethyl)-N,N-dimethyl-, hydroxide, inner saltHEXADECYLDIMETHYLBETAINEAmmonium, (carboxymethyl)hexadecyldimethyl-, hydroxide, inner salt
Show more names
2-[hexadecyl(dimethyl)azaniumyl]acetateC16BetBS1618HSB1618N-Cetyl betaineLonzaine(R) 16SPCetyl Dimethyl Betaine
N-(Carboxymethyl)-N,N-dimethyl-1-hexadecanaminium hydroxide inner saltN-(Carboxymethyl)-N,N-dimethyl-1-hexadecanaminium hydroxide, inner salt(Carboxymethyl)hexadecyldimethylammonium hydroxide, inner saltRefChem:828379CETYL BETAINE [INCI](Carboxymethyl)hexadecyldimethylammonium hydroxide, inner salt (7CI)Ammonium, (carboxymethyl)hexadecyldimethyl-, hydroxide, inner salt (8CI)Hexadecylbetaine
Properties
Computed structural properties
- XLogP
- 8.3
- Topological polar surface area
- 40.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 16
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 271
Experimental & physicochemical properties
Cosmetics
Cosmetic ingredients (Cetyl Betaine) -> CIR (Cosmetic Ingredient Review)
Antistatic; Foam boosting; Hair conditioning; Cleansing; Surfactant
Physical DescriptionCBI; Liquid
Physicochemical properties
- Boiling point
- 465.41 °C · 465.41°C (rough estimate)
- Density
- 0.9732 · 0.9732 (rough estimate)
- vapor pressure
- 13.197 hPa · 13.197hPa at 21.1℃
- refractive index
- 1.5614 · 1.5614 (estimate)
- Water Solubility
- 444.8 g/L · 444.8g/L at 25℃
- Cosmetics Ingredients Functions
- SURFACTANT - CLEANSINGCLEANSINGHAIR CONDITIONINGSURFACTANT - FOAM BOOSTINGVISCOSITY CONTROLLINGSKIN CONDITIONINGANTISTATIC
- LogP
- 0.009 at · 0.009 at 25℃
- CAS DataBase Reference
- 693 · 693-33-4
- FDA UNII
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
Warning
H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 66 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 1-Hexadecanaminium, N-(carboxymethyl)-N,N-dimethyl-, inner salt
1-Hexadecanaminium, N-(carboxymethyl)-N,N-dimethyl-, inner salt is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Hexadecanaminium, N-(carboxymethyl)-N,N-dimethyl-, 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)
REACH registered substance: (carboxylatomethyl)hexadecyldimethylammonium (EC: 211-748-4)
1-Hexadecanaminium, N-(carboxymethyl)-N,N-dimethyl-, 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-Hexadecanaminium, N-(carboxymethyl)-N,N-dimethyl-, inner salt
Hazard Classes and CategoriesAcute Tox. 4 (16.7%)
Toxicology
Toxicity Summary
The CIR Expert Panel concluded that the eleven alkyl betaines listed below are safe in the present practices of use and concentration in cosmetics, when formulated to be non-irritating...Cetyl Betaine...
Chemistry & industry
Uses & manufacturing
UsesCIR ingredient: Cetyl Betaine
U.S. Production2023: 1,000,000 - <2,500,000 lb
Consumer UsesThickening agent
Industry UsesSurfactant (surface active agent)
Household ProductsInformation on 52 consumer products that contain Cetyl betaine in the following categories is provided:
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 -> Antistatic; Foam boosting; Hair conditioning; Cleansing; Surfactant
General Manufacturing Information
Wholesale and Retail Trade
1-Hexadecanaminium, N-(carboxymethyl)-N,N-dimethyl-, inner salt: ACTIVE
Applications
UsesLonzaine(R) 16SP is a mild, high foaming, biodegradable cetyl betaine. Suggested applications: foam stabilizer, thickener for shampoos.
Suppliers69 total
北京华美互利生物化工010-56205725 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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