(diethoxymethyl)dimethylamine

• ChemBase ID: 140137
• Molecular Formular: C7H17NO2
• Molecular Mass: 147.21538
• Monoisotopic Mass: 147.12592879
• SMILES: CCOC(N(C)C)OCC
• Canonical SMILES: CCOC(N(C)C)OCC
• InChI: InChI=1S/C7H17NO2/c1-5-9-7(8(3)4)10-6-2/h7H,5-6H2,1-4H3
• InChIKey: BWKAYBPLDRWMCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (diethoxymethyl)dimethylamine
• IUPAC Traditional name: (diethoxymethyl)dimethylamine
• Synonyms: 1,1-Diethoxytrimethylamine; 1,1-Diethoxy-N,N-dimethylmethylamine; N,N-Dimethylformamide diethyl acetal; 1,1-二乙氧基-N,N-二甲基甲胺; 1,1-二乙氧基三甲胺; N,N-二甲基甲酰胺二乙基缩醛; N,N-二甲基甲酰胺二乙基乙缩醛

Database IDs

• CAS Number: 1188-33-6
• EC Number: 214-707-9
• MDL Number: MFCD00009227
• Beilstein Number: 741889
• PubChem SID: 24848535; 162234381; 24865096; 24864632
• PubChem CID: 70913

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.4549962
• LogD (pH = 7.4): 1.5217564
• Log P: 1.5226775
• Molar Refractivity: 41.8112 cm^3
• Polarizability: 16.534874 Å^3
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 130-133 °C(lit.); 134-136°C
• Flash Point: 17°C(62°F); 28 °C; 82.4 °F
• Density: 0.859; 0.859 g/mL at 25 °C(lit.)
• Refractive Index: 1.3990; n20/D 1.400; n20/D 1.400(lit.)

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 1993; UN1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3; II
• Risk Statements: 10-36/37/38; 11-36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H225-H315-H319-H335; H226-H315-H319-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3

Product Information

• Purity: ≥95.0% (GC); 95%
• Grade: for GC derivatization
• Quality: for esterification of fatty acids
• Linear Formula: (CH3)2NCH(OC2H5)2

DETAILS

Sigma Aldrich - 142778

Packaging
10, 50 g in glass bottle

Sigma Aldrich - 394971

Packaging
5, 25 mL in ampule

Sigma Aldrich - 40252

Other Notes
Reagent for the esterification of fatty acids1; Review2
Packaging
25, 100 mL in glass bottle

REFERENCES

• Reagent for conversion of carboxylic acids to ethyl esters under mild conditions: Angew. Chem. Int. Ed., 2, 211 (1963): Liebigs Ann. Chem., 821 (1974). Compare N,N-Dimethylformamide dimethyl acetal, A15350.