dibutylamine

• ChemBase ID: 106212
• Molecular Formular: C8H19N
• Molecular Mass: 129.24316
• Monoisotopic Mass: 129.15174961
• SMILES: CCCCNCCCC
• Canonical SMILES: CCCCNCCCC
• InChI: InChI=1S/C8H19N/c1-3-5-7-9-8-6-4-2/h9H,3-8H2,1-2H3
• InChIKey: JQVDAXLFBXTEQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dibutylamine
• IUPAC Traditional name: dibutylamine
• Synonyms: dibutylamine; Dibutylamine; Di-n-butylamine; Dibutilamina; N-Butyl-1-butanamine; DIBUTYLAMINE, CERTIFIED GRADE; 二丁胺; 二正丁胺

Database IDs

• CAS Number: 111-92-2
• EC Number: 203-921-8
• MDL Number: MFCD00009429
• Beilstein Number: 506001
• Merck Index: 143032
• PubChem SID: 24870706; 162092980; 24893877
• PubChem CID: 8148
• Chemspider ID: 7856
• MeSH Name: dibutylamine
• Wikipedia Title: Dibutylamine

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.78286564
• LogD (pH = 7.4): -0.5371046
• Log P: 2.4549196
• Molar Refractivity: 42.4406 cm^3
• Polarizability: 17.036163 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 4.7 g L^-1 in water
• Apperance: Colorless liquid
• Melting Point: -61.90°C (211.25K); -62 °C(lit.); -62°C; -62°C
• Boiling Point: 136.85 - 176.85°C (410 - 450 K); 159 °C(lit.); 159°C; 159-160°C
• Flash Point: 104 °F; 39°C(102°F); 40 °C; 41°C
• Auto Ignition Point: 260°C; 312 °C; 594 °F
• Density: 0.767; 0.767 g/mL at 25 °C(lit.); 767 mg mL^-1
• Refractive Index: 1.4169; 1.417; n20/D 1.417; n20/D 1.417(lit.)
• Vapor Pressure: 1.9 mm Hg @ 20 deg C; 1.9 mmHg ( 20 °C); 340 Pa
• Vapor Density: 4.46 (vs air); 4.46 g/L
• Partition Coefficient: 20.06 @ 25 deg C
• Henry Constant: 110 mol Pa^-1 kg^-1
• Odor: Ichtyal, ammoniacal
• Heat Capacity: 292.9 J^-1 K mol^-1
• Std enthalpy of combustion: -5.6534–-5.6490 MJ mol^-1
• Std enthalpy of formation: -214.8–-209.8 kJ mol^-1

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: HR7780000
• European Hazard Symbols: Corrosive (C); Flammable (F); Toxic (T); X; Harmful (Xn)
• UN Number: 2248; UN2248
• German water hazard class: 1
• Hazard Class: 3; 8
• Packing Group: 2; II
• Australian Hazchem: 3W
• Risk Statements: 10-20/21/22; R:10-20/21/22-34; r10, r20/21/22
• Safety Statements: 2; S:16-36/37/39-45; s2
• EU Classification: CF1
• EU Hazard Identification Number: 8A
• Emergency Response Guidebook(ERG) Number: 132
• TSCA Listed: 是
• EU Index: 612-049-00-0
• GHS Pictograms: GHS exclamation mark; GHS flame; GHS02; GHS07; GHS09
• GHS Signal Word: WARNING; Warning
• LD50: 360 mg kg^-1 (oral, rat)
• Explode Limits: 1.1–10%; 10 %
• GHS Hazard statements: 226, 302, 312, 332; H226-H302 + H312 + H332-H411; H226-H302-H312-H332
• GHS Precautionary statements: 280; P210-P241-P303+P361+P353-P302+P352-P403+P235-P501A; P273-P280; P280
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2248 8/PG 2

Product Information

• Purity: ≥98%; ≥98.0%; ≥98.0% (GC); ≥99%; ≥99% (GC); ≥99.0% (GC); ≥99.5%; 98+%
• Grade: puriss.; purum; SAJ first grade
• Linear Formula: (CH3CH2CH2CH2)2NH

DETAILS

Sigma Aldrich - 471232

Packaging
1 L in glass bottle
100, 500 mL in glass bottle
18 L in steel drum

Sigma Aldrich - D44952

Packaging
1.5, 2 kg in glass bottle
500 g in glass bottle