Basic information
- CAS
120-07-0- Standard SMILES
OCCN(CCO)c1ccccc1- InChIKey
OJPDDQSCZGTACX-UHFFFAOYSA-N- Molecular formula
- C10H15NO2
- Average molar mass
- 181.23 g/mol
- Monoisotopic mass
- 181.11027872
Overview
2-[(2-Hydroxyethyl)anilino]ethan-1-ol is a dialkylarylamine and a tertiary amino compound.
Names & identifiers
- Preferred name
- N-Phenyl diethanolamine
- IUPAC
- 2-[N-(2-hydroxyethyl)anilino]ethanol
- English name
- N-Phenyldiethanolamine
- Molecular formula
- C10H15NO2
- Molecular weight
- 181.23
Names & synonyms
N-Phenyldiethanolamine120-07-02,2'-(Phenylimino)diethanolN-Phenyl diethanolamineDiethanolanilinePHENYLDIETHANOLAMINEN,N-DiethanolanilineDiethanolphenylamineDiethanolaminobenzenePhenyl diethanolamineN,N-DioxyethylanilinePhenylbis(2-hydroxyethyl)amine
Show more names
PDEAn-phenylN,N-DIHYDROXYETHYLANILINEAnilinodiethanol2,2'-(phenylazanediyl)diethanol
Ethanol, 2,2'-(phenylimino)bis-N,N-Bis(2-hydroxyethyl)anilineN-Phenyl-N,N-diethanolamine2,2'-(Phenylamino)diethanolEmery 5703DihydroxyethylanilineN,N-Di(2-hydroxyethyl)aniline2,2'-Phenyliminodiethanol
Database identifiers
- CAS
120-07-0- PubChem CID
- 8416
- DTXSID
DTXSID5021962- ChEMBL
CHEMBL3188755- ChEBI
CHEBI:194838- UNII
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 43.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 118
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Ethanolamines
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Vapor Pressure0.00000202 [mmHg]
Physical Description
Other Solid
White or light brown solid with an amine-like odor; [Alfa Aesar MSDS]
Collision Cross Section137.9 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID5021962]
Physicochemical properties
- Melting point
- 56 · 56-58 °C(lit.)
- Boiling point
- 270 °C · 270 °C
- Density
- 1.1 · 1.1
- vapor density
- 1 · >1 (vs air)
- vapor pressure
- 0.01 mm · <0.01 mm Hg ( 20 °C)
- refractive index
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
Danger
H302 (60.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P308+P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 325 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Ethanol, 2,2'-(phenylimino)bis-
Ethanol, 2,2'-(phenylimino)bis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanol, 2,2'-(phenylimino)bis- 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)
Status: Active Update: 26-10-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/19993
2,2'-Phenyliminodiethanol: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
A mild skin and severe eye irritant; Causes convulsions, muscle weakness, cyanosis, and respiratory depression in oral lethal-dose studies of mice; Causes pigmented or nucleated red blood cells and changes in erythrocyte count in 30-day intermittent oral studies of rats; [RTECS] A severe eye irritant that may cause serious injury; Prolonged or repeated exposure may cause organ injury; [Alfa Aesar MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (60.6%)
Toxicology
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 75,000 - <500,000 lb
Consumer UsesChemical reaction regulator
Industry UsesChemical reaction regulator
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Ethanol, 2,2'-(phenylimino)bis-: ACTIVE
Applications
UsesN-Phenyldiethanolamine can be used for hair coloring agents. It can also be used as a resin composition and can be used to produce cured film and semiconductor device.
Preparation methods
PreparationN-Phenyldiethanolamine is obtained by the addition of aniline and ethylene oxide.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
15 records
Compound notes
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