2-(dimethylamino)ethan-1-ol

• ChemBase ID: 102906
• Molecular Formular: C4H11NO
• Molecular Mass: 89.13624
• Monoisotopic Mass: 89.08406398
• SMILES: CN(C)CCO
• Canonical SMILES: OCCN(C)C
• InChI: InChI=1S/C4H11NO/c1-5(2)3-4-6/h6H,3-4H2,1-2H3
• InChIKey: UEEJHVSXFDXPFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethylamino)ethan-1-ol
• IUPAC Traditional name: dimethylaminoethanol
• Synonyms: N,N-Dimethylethanolamine; N,N-Dimethyl-2-hydroxyethylamine; 2-DIMETHYLAMINO ETHANOL; DIMETHYLETHANOLAMINE; Deanol; Dimethylamino ethanol; DMEA; Jeffcat DMEA; 2-Dimethylaminoethanol; 2-(Dimethylamino)ethanol; 2-(Dimethylamino)ethanol; N,N-二甲乙醇胺; N,N-二甲基-2-羟基乙胺; 2-二甲氨基乙醇; 2-(二甲基氨)乙醇

Database IDs

• CAS Number: 108-01-0
• EC Number: 203-542-8
• MDL Number: MFCD00002846
• Beilstein Number: 1209235
• Merck Index: 142843
• PubChem SID: 24870734; 162088305; 24864369
• PubChem CID: 7902
• CHEBI ID: 271436
• ATC CODE: N06BX04
• CHEMBL: 1135
• Chemspider ID: 13854944
• KEGG ID: D07777
• MeSH Name: Deanol
• Unique Ingredient Identifier: 2N6K9DRA24
• Wikipedia Title: Dimethylethanolamine

CALCULATED PROPERTIES

• LogD (pH = 5.5): -3.7138884
• LogD (pH = 7.4): -2.1329925
• Log P: -0.49993256
• Molar Refractivity: 26.2804 cm^3
• Polarizability: 10.242338 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 15.594408
• H Acceptors: 2
• H Donor: 1

PROPERTIES

Physical Property

• Apperance: Colourless liquid
• Melting Point: -59 °C (-74 °F); -59°C; -59.00°C (214.15K); -60°C; -70 °C(lit.)
• Boiling Point: 134.05°C (407.2K); 134-136 °C(lit.); 134-136°C; 135 °C (275 °F); 135°C
• Flash Point: 102.2 °F; 39 °C; 40°C; 40°C(104°F)
• Auto Ignition Point: 295 °C (563 °F)
• Density: 0.886; 0.886 g/mL at 20 °C(lit.); 0.8864 at 20 °C (water = 1); 0.8864 g/ml; 890 mg mL^-1
• Refractive Index: 1.4294; 1.4295; n20/D 1.4294(lit.); n20/D 1.430
• Vapor Pressure: 100 mmHg ( 55 °C); 4 mm Hg (0.5 kPa) at 20 °C; 6.12 mmHg ( 20 °C); 816 Pa (at 20 °C)
• Vapor Density: 3.07 (air = 1)
• Partition Coefficient: -0.25
• pKa: 9.23 (at 20 °C)
• pKb: 4.77 (at 20 °C)
• Odor: Fishy, ammoniacal

Safety Information

• Storage Condition: Room Temperature (15-30°C), Store Under Nitrogen
• Storage Warning: Hygroscopic
• RTECS: KK6125000
• European Hazard Symbols: Corrosive (C); X
• UN Number: 2051; UN2051
• German water hazard class: 1
• Hazard Class: 3; 8
• Packing Group: 2; II
• Australian Hazchem: 2W
• Risk Statements: 10-20/21/22-34; R:10-20/21/22-34; r10, r20/21/22, r34
• Safety Statements: 1/2-25-26-36/37/39-45; 25-26-36/37/39-45; S:25-26-45-36/37/39; s1/2, s25, s26, s36/37/39, s45
• EU Classification: CF1
• EU Hazard Identification Number: 8A
• Emergency Response Guidebook(ERG) Number: 132
• TSCA Listed: 是
• EU Index: 603-047-00-0
• GHS Pictograms: GHS corrosion; GHS exclamation mark; GHS flame; GHS02; GHS05; GHS07
• GHS Signal Word: DANGER; Danger
• LD50: 1.214 g kg^-1 (dermal, rabbit); 2 g kg^-1 (oral, rat)
• Explode Limits: 1.4–12.2%
• GHS Hazard statements: 226, 302, 312, 314, 332; H226-H302-H312-H314-H332; H314-H226-H302-H312-H332
• GHS Precautionary statements: 280, 305+351+338, 310; P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; 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 2051 8/PG 2

Product Information

• Purity: ≥98.0% (GC); ≥99% (GC); ≥99.0%; ≥99.5%; 95+%; 99+%
• Grade: purum; SAJ first grade
• Impurities: ≤0.5% water (Karl Fischer)
• Purified By: redistillation
• Linear Formula: (CH3)2NCH2CH2OH

DETAILS

MP Biomedicals - 05222259

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02105236

1 ml = approx. 0.89 g

Sigma Aldrich - 391263

Packaging
100, 800 mL in Sure/Seal™

Sigma Aldrich - 471453

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

REFERENCES

• In the presence of 2 mol of n-BuLi, forms a unimetal superbase complex of the Li alkoxide with an additional molecule of n-BuLi: J. Chem. Soc., Perkin 1, 3071 (1997). For examples of its use, see 2-Methoxypyridine, A13675, 2-Chloropyridine, A14866.