trioctylamine

• ChemBase ID: 74459
• Molecular Formular: C24H51N
• Molecular Mass: 353.66844
• Monoisotopic Mass: 353.40215064
• SMILES: N(CCCCCCCC)(CCCCCCCC)CCCCCCCC
• Canonical SMILES: CCCCCCCCN(CCCCCCCC)CCCCCCCC
• InChI: InChI=1S/C24H51N/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h4-24H2,1-3H3
• InChIKey: XTAZYLNFDRKIHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trioctylamine
• IUPAC Traditional name: tri(N-octyl)amine
• Synonyms: TRICAPRYLYLAMINE PRACTICAL GRADE; Tri-n-octylamine; TOA; Trioctylamine; Tri-n-octylamine; 三辛胺; 三正辛胺

Database IDs

• CAS Number: 1116-76-3
• EC Number: 214-242-1
• MDL Number: MFCD00009560
• Beilstein Number: 1210618
• PubChem SID: 162039378; 24889736; 24900500; 24889735
• PubChem CID: 14227

CALCULATED PROPERTIES

• LogD (pH = 5.5): 6.00179
• LogD (pH = 7.4): 6.336945
• Log P: 9.496691
• Molar Refractivity: 116.8209 cm^3
• Polarizability: 46.588814 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 21
• Lipinski's Rule of Five: false
• H Acceptors: 1
• H Donor: 0

PROPERTIES

Physical Property

• Solubility: chloroform: soluble0.1 g/mL, clear, colorless
• Melting Point: -39°C
• Boiling Point: 164-168 °C/0.7 mmHg(lit.); 164-168°C/0.7mm; 365-367 °C(lit.)
• Flash Point: 158°C(316°F); 163 °C; 325.4 °F
• Density: 0.809 g/mL at 25 °C(lit.); 0.810; 0.810 g/mL at 20 °C; 0.82 g/ml
• Refractive Index: 1.4485; n20/D 1.449; n20/D 1.449(lit.); n20/D 1.450

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: Air Sensitive
• RTECS: RG8225000
• European Hazard Symbols: Nature polluting (N); Irritant (Xi)
• UN Number: UN3082
• German water hazard class: 2
• Hazard Class: 9
• Packing Group: III
• Risk Statements: 36/37/38; 36/38-51/53
• Safety Statements: 26; 26-37-61
• TSCA Listed: 是
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335; H315-H319-H411-H401
• GHS Precautionary statements: P261-P305 + P351 + P338; P280G-P273-P305+P351+P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: >90%; ≥98.0% (GC); ≥99.0%; ≥99.0% (NT); 95%; 98%
• Grade: PRACTICAL; puriss.; purum; SAJ first grade
• Linear Formula: [CH3(CH2)7]3N

DETAILS

MP Biomedicals - 02157109

Purity: >90%
1 ml = approx. 0.82 g

MP Biomedicals - 05219007

MP Biomedicals Rare Chemical collection

Sigma Aldrich - T81000

Application
Trioctylamine is used as an extractant for organic acids (such as TCA, succinic acid, and acetic acid), and precious metals.
Packaging
25, 100, 500 g in glass bottle