2-(diethylamino)ethan-1-ol

• ChemBase ID: 123320
• Molecular Formular: C6H15NO
• Molecular Mass: 117.1894
• Monoisotopic Mass: 117.11536411
• SMILES: N(CCO)(CC)CC
• Canonical SMILES: OCCN(CC)CC
• InChI: InChI=1S/C6H15NO/c1-3-7(4-2)5-6-8/h8H,3-6H2,1-2H3
• InChIKey: BFSVOASYOCHEOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(diethylamino)ethan-1-ol
• IUPAC Traditional name: DEAE
• Synonyms: DEAE; DEEA; N,N-Diethylethanolamine; 2-(Diethylamino)ethanol; 2-(diethylamino)ethanol; Diethylaminoethanol; 2-Diethylaminoethanol; N,N-Diethyl-2-aminoethanol; N,N-Diethylethanolamine; Diethyl(2-hydroxyethyl)amine; (2-Hydroxyethyl)diethylamine; Diethylethanolamine; N-(2-Hydroxyethyl)diethylamine; N,N-二乙基乙醇胺; 二乙氨基乙醇; 2-(二乙基氨基)乙醇

Database IDs

• CAS Number: 100-37-8
• EC Number: 202-845-2
• MDL Number: MFCD00002850
• Beilstein Number: 741863
• Merck Index: 143112
• PubChem SID: 24870721; 162217673; 24849409; 24859090
• PubChem CID: 7497
• CHEBI ID: 52153
• CHEMBL: 1183
• Chemspider ID: 13842001
• MeSH Name: 2-diethylaminoethanol
• Wikipedia Title: Diethylethanolamine

CALCULATED PROPERTIES

• Acid pKa: 15.593297
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.180597
• LogD (pH = 7.4): -1.9247404
• Log P: 0.21368337
• Molar Refractivity: 35.7776 cm^3
• Polarizability: 13.926987 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Colourless liquid
• Melting Point: -70°C
• Boiling Point: 161 °C(lit.); 161.05°C (434.2K); 161-163°C
• Flash Point: 122 °F; 50 °C; 52°C(125°F)
• Density: 0.883; 0.884 g/mL at 25 °C(lit.); 884 mg mL^-1
• Refractive Index: 1.441–1.442; 1.4415; n20/D 1.441(lit.); n20/D 1.442
• Vapor Pressure: 1 mmHg ( 20 °C); 100 Pa (at 20 °C)
• Vapor Density: 4.04 (vs air)
• Partition Coefficient: 0.769
• Odor: Ammoniacal

Safety Information

• RTECS: KK5075000
• European Hazard Symbols: Corrosive (C); X
• UN Number: 2686; UN2686
• German water hazard class: 1
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 10-20/21/22-34; r10, r20/21/22, r34
• Safety Statements: 25-26-36/37/39-45; s1/2, s25, s26, s36/37/39, s45
• TSCA Listed: 是
• EU Index: 603-048-00-6
• GHS Pictograms: GHS corrosion; GHS exclamation mark; GHS flame; GHS02; GHS05; GHS07
• GHS Signal Word: DANGER; Danger
• LD50: 1.113 g kg^-1 (dermal, rabbit); 1.3 g kg^-1 (oral, rat)
• Explode Limits: 1.4–11.7%; 11.7 %
• GHS Hazard statements: 226, 302, 312, 314, 317, 332; H226-H302-H312-H314-H317-H332; H314-H318-H226-H302-H312-H332
• GHS Precautionary statements: 280, 305+351+338, 310; P280-P262-P303+P361+P353-P305+P351+P338-P310; P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2686 8/PG 2

Product Information

• Purity: ≥99% (GC); ≥99.0% (GC); ≥99.5%; 99%
• Grade: purum
• Impurities: ≤0.5% water (Karl Fischer)
• Linear Formula: (C2H5)2NCH2CH2OH

DETAILS

Sigma Aldrich - 471321

Packaging
100, 500 mL in glass bottle
18 L in steel drum
2 L in glass bottle