tris(2-ethylhexyl)amine

• ChemBase ID: 152031
• Molecular Formular: C24H51N
• Molecular Mass: 353.66844
• Monoisotopic Mass: 353.40215064
• SMILES: CCCCC(CC)CN(CC(CC)CCCC)CC(CC)CCCC
• Canonical SMILES: CCCCC(CN(CC(CCCC)CC)CC(CCCC)CC)CC
• InChI: InChI=1S/C24H51N/c1-7-13-16-22(10-4)19-25(20-23(11-5)17-14-8-2)21-24(12-6)18-15-9-3/h22-24H,7-21H2,1-6H3
• InChIKey: BZUDVELGTZDOIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(2-ethylhexyl)amine
• IUPAC Traditional name: tris(2-ethylhexyl)amine
• Synonyms: Tris(2-ethylhexyl)amine; 三(2-乙基己基)胺

Database IDs

• CAS Number: 1860-26-0
• EC Number: 217-461-0
• MDL Number: MFCD00042903
• Beilstein Number: 2087270
• PubChem SID: 162246177; 24889830
• PubChem CID: 102705

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.7571526
• LogD (pH = 7.4): 5.8048368
• Log P: 9.257903
• Molar Refractivity: 116.4327 cm^3
• Polarizability: 46.588814 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 18
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: 109 °C; 228.2 °F
• Density: 0.817 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.451

Safety Information

• European Hazard Symbols: Nature polluting (N); Irritant (Xi)
• UN Number: 2735
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 3
• Risk Statements: 36/37/38-50/53
• Safety Statements: 26-36-61
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335-H410
• GHS Precautionary statements: P261-P273-P305 + P351 + P338-P501
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2735 8/PG 3

Product Information

• Purity: ≥97.0% (GC)
• Linear Formula: [CH3(CH2)3CH(C2H5)CH2]3N

DETAILS

Sigma Aldrich - 93300

Packaging
250 mL in glass bottle