(dibutoxymethyl)dimethylamine

• ChemBase ID: 138998
• Molecular Formular: C11H25NO2
• Molecular Mass: 203.3217
• Monoisotopic Mass: 203.18852905
• SMILES: CCCCOC(N(C)C)OCCCC
• Canonical SMILES: CCCCOC(N(C)C)OCCCC
• InChI: InChI=1S/C11H25NO2/c1-5-7-9-13-11(12(3)4)14-10-8-6-2/h11H,5-10H2,1-4H3
• InChIKey: GSFFXKGTGPMVLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (dibutoxymethyl)dimethylamine
• IUPAC Traditional name: (dibutoxymethyl)dimethylamine
• Synonyms: 1,1-Dibutoxytrimethylamine; 1,1-Dibutoxy-N,N-dimethylmethylamine; N,N-Dimethylformamide dibutyl acetal; 1,1-二丁氧基-N,N-二甲基甲胺; 1,1-二丁氧基三甲胺; N,N-二甲基甲酰胺二丁基缩醛

Database IDs

• CAS Number: 18503-90-7
• EC Number: 242-387-0
• MDL Number: MFCD00015249
• Beilstein Number: 1098693
• PubChem SID: 24850756; 24865103; 162233249
• PubChem CID: 87683

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.389292
• LogD (pH = 7.4): 3.4559402
• Log P: 3.4568596
• Molar Refractivity: 60.0612 cm^3
• Polarizability: 23.900274 Å^3
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 93 °C/12 mmHg(lit.)
• Flash Point: 127.4 °F; 53 °C
• Density: 0.853 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.417

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10-36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H315-H319-H335
• GHS Precautionary statements: 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: ≥98.0%
• Quality: for esterification of fatty acids
• Linear Formula: (CH3)2NCH(OCH2CH2CH2CH3)2

DETAILS

Sigma Aldrich - 178543

Application
The DMF-acetals are versatile synthetic and analytical reagents which react with a variety of functional groups.

Sigma Aldrich - 40262

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