2-[2-(dimethylamino)ethoxy]ethan-1-ol

• ChemBase ID: 147067
• Molecular Formular: C6H15NO2
• Molecular Mass: 133.1888
• Monoisotopic Mass: 133.11027873
• SMILES: CN(C)CCOCCO
• Canonical SMILES: OCCOCCN(C)C
• InChI: InChI=1S/C6H15NO2/c1-7(2)3-5-9-6-4-8/h8H,3-6H2,1-2H3
• InChIKey: YSAANLSYLSUVHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(dimethylamino)ethoxy]ethan-1-ol
• IUPAC Traditional name: 2-[2-(dimethylamino)ethoxy]ethanol
• Synonyms: 2-[2-(Dimethylamino)ethoxy]ethanol; 2-[2-(二甲基氨基)乙氧基]乙醇

Database IDs

• CAS Number: 1704-62-7
• EC Number: 216-940-1
• MDL Number: MFCD00059602
• PubChem SID: 162241259; 24866576
• PubChem CID: 74348

CALCULATED PROPERTIES

• Acid pKa: 15.121228
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.6762407
• LogD (pH = 7.4): -2.0264106
• Log P: -0.5469081
• Molar Refractivity: 37.3239 cm^3
• Polarizability: 14.625383 Å^3
• Polar Surface Area: 32.7 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 95 °C/15 mmHg(lit.)
• Flash Point: 199.4 °F; 93 °C
• Density: 0.954 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.442(lit.)

Safety Information

• RTECS: KK6825000
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 1
• Risk Statements: 21-41
• Safety Statements: 26-36/37/39
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H312-H318
• GHS Precautionary statements: P280-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 98%
• Linear Formula: (CH3)2NCH2CH2OCH2CH2OH

DETAILS

Sigma Aldrich - 424552

Application
Used for the preparation of low-density packaging foams.
Packaging
1 L in poly bottle
250 mL in poly bottle