N-(2-((2-hydroxyethyl)amino)ethyl)stearamide

HCID 8838

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 141-21-9
Standard SMILES: CCCCCCCCCCCCCCCCCC(=O)NCCNCCO
InChIKey: KWTFEBYZFYIHFO-UHFFFAOYSA-N
Molecular formula: C22H46N2O2
Average molar mass: 370.6 g/mol
Monoisotopic mass: 370.35592871

Names & identifiers

Preferred name: N-(2-((2-hydroxyethyl)amino)ethyl)stearamide
IUPAC: N-[2-(2-hydroxyethylamino)ethyl]octadecanamide
English name: N-[2-[(2-hydroxyethyl)amino]ethyl]stearamide
Molecular formula: C22H46N2O2
Molecular weight: 370.61

Names & synonyms

141-21-9Stearamidoethyl ethanolamineOctadecanamide, N-[2-[(2-hydroxyethyl)amino]ethyl]-N-[2-[(2-Hydroxyethyl)amino]ethyl]stearamideN-(Ethoxyaminoethyl)stearamideHSDB 61258XMG7HCY8DStearic N-(aminoethyl)ethanolamideN-(2-((2-Hydroxyethyl)amino)ethyl)stearamideN-Stearoyl-N'-(2-hydroxyethyl)ethylenediamineEINECS 205-469-7Ethanolaminoethyl stearamide

Show more names

2-(2-stearamidoethylamino)-Ethanol

N-(2-Hydroxyethyl)-N'-octadecanoylethylenediaminen-{2-[(2-hydroxyethyl)amino]ethyl}octadecanamideEthanol, 2-(2-stearamidoethylamino)-Octadecanamide, N-(2-((2-hydroxyethyl)amino)ethyl)-DTXSID9059703N-Stearoyl-N'-(beta-hydroxyethyl)ethylenediamineN-[2-[(2-Hydroxyethyl)amino]ethyl]octadecanamideN-(2-HYDROXYETHYL)-N'-STEAROYLETHYLENEDIAMINE

Database identifiers

CAS: 141-21-9
PubChem CID: 8838
DTXSID: DTXSID9059703
UNII: 8XMG7HCY8D
EC Number: 205-469-7
Nikkaji: J111.737H

Properties

Computed structural properties

XLogP: 6.8
Topological polar surface area: 61.4 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 3
Rotatable bonds: 21
Heavy atoms: 26
Formal charge: 0
Complexity: 285

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Ethanolamines

CosmeticsEmulsifying; Antistatic

Physical DescriptionOther Solid

Physicochemical properties

Cosmetics Ingredients Functions: SURFACTANT - EMULSIFYINGANTISTATIC
InChI: InChI=1S/C22H46N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)24-19-18-23-20-21-25/h23,25H,2-21H2,1H3,(H,24,26)
InChIKey: KWTFEBYZFYIHFO-UHFFFAOYSA-N
SMILES: C(NCCNCCO)(=O)CCCCCCCCCCCCCCCCC
LogP: 6.161 · 6.161 (est)
EWG's Food Scores: 1 · 1
FDA UNII: 8 XMG7HCY8D · 8XMG7HCY8D
EPA Substance Registry System: 2 · Octadecanamide, N-[2-[(2-hydroxyethyl)amino]ethyl]- (141-21-9)
Symbol(GHS): 8 · GHS08
Signal word: Danger
Hazard statements: 317 · H317-H315-H360-H319
Precautionary statements: 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
TSCA: TSCA listed
Hazardous Substances Data: 141 · 141-21-9(Hazardous Substances Data)

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 20% (2 of 10) of reports.

Danger

H315 (70%): Causes skin irritation [Warning Skin corrosion/irritation]

P203, P261, P264, P264+P265, P272, P280, P302+P352, P305+P351+P338, P318, P321, P332+P317, P333+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 10 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 3 items

Chemical: Octadecanamide, N-[2-[(2-hydroxyethyl)amino]ethyl]-

Octadecanamide, N-[2-[(2-hydroxyethyl)amino]ethyl]- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Octadecanamide, N-[2-[(2-hydroxyethyl)amino]ethyl]- 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)

Octadecanamide, N-2-(2-hydroxyethyl)aminoethyl-: 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.

Hazard Classes and CategoriesSkin Irrit. 2 (70%)

Safety data

tsca: TSCA listed
Signal word: Danger
Symbol(GHS): GHS08
Hazard statements: H317-H315-H360-H319
Precautionary statements: P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Hazardous Substances Data: 141-21-9(Hazardous Substances Data)

Chemistry & industry

Uses & manufacturing

U.S. Production2023: <50,000 lb

Consumer UsesSoftener and conditioner

Industry UsesSoftener and conditioner

Use ClassificationCosmetics -> Emulsifying; Antistatic

General Manufacturing Information · 2 items

Textiles, apparel, and leather manufacturing

Octadecanamide, N-[2-[(2-hydroxyethyl)amino]ethyl]-: ACTIVE

Preparation methods · 1 item

PreparationOctadecanic acid (0.05 mol), N-(2-hydroxyethyl)ethylenediamine (6.76 g, 0.065 mol), and xylene (30 ml) were added to the three-neck bottle. Let the reaction solution reflux at 140 °C with stirring. After about 4 h, no more water flows out of the water separator to stop the reaction and obtain the product.