2,4,6-tris[(dimethylamino)methyl]phenol

• ChemBase ID: 92413
• Molecular Formular: C15H27N3O
• Molecular Mass: 265.39438
• Monoisotopic Mass: 265.2154125
• SMILES: Oc1c(cc(cc1CN(C)C)CN(C)C)CN(C)C
• Canonical SMILES: CN(Cc1cc(CN(C)C)c(c(c1)CN(C)C)O)C
• InChI: InChI=1S/C15H27N3O/c1-16(2)9-12-7-13(10-17(3)4)15(19)14(8-12)11-18(5)6/h7-8,19H,9-11H2,1-6H3
• InChIKey: AHDSRXYHVZECER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4,6-tris[(dimethylamino)methyl]phenol
• IUPAC Traditional name: 2,4,6-tris[(dimethylamino)methyl]phenol
• Synonyms: 2,4,6-Tris((dimethylamino)methyl)phenol; Epon™ DMP 30 substitute; 2,4,6-Tris(dimethylaminomethyl)phenol; Epoxy embedding medium, accelerator; 2,4,6-TRI(DIMETHYLAMINOMETHYL)PHENOL; DMP-30; 2,4,6-Tris(dimethylaminomethyl)phenol; 2,4,6-Tris(dimethylaminomethyl)phenol 96%; 2,4,6-tris(DIMETHYLAMINOMETHYL) PHENOL; 2,4,6-tris[(dimethylamino)methyl]phenol; 2,4,6-三(二甲氨基甲基)苯酚

Database IDs

• CAS Number: 26444-72-4; 90-72-2
• EC Number: 202-013-9
• MDL Number: MFCD00008330
• Beilstein Number: 795751
• PubChem SID: 162079111; 24863317; 24868816; 24889841; 24900319
• PubChem CID: 7026

CALCULATED PROPERTIES

• Acid pKa: 7.004478
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -7.3093905
• LogD (pH = 7.4): -2.6783752
• Log P: -0.1597625
• Molar Refractivity: 83.667 cm^3
• Polarizability: 32.101646 Å^3
• Polar Surface Area: 29.95 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 31 - 32°C
• Boiling Point: 130-135 °C/1 mmHg(lit.); 130-135°C/1mm; 316°C
• Flash Point: >110°C; 124 °C; 255.2 °F
• Density: 0.943 g/ml; 0.969; 0.969 g/mL at 25 °C(lit.); 0.97 g/ml
• Refractive Index: 1.516; n20/D 1.516(lit.); n20/D 1.517
• Vapor Pressure: <0.01 mmHg ( 21 °C)
• Vapor Density: >1 (vs air)
• Hydrophobicity(logP): 0.877

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: Irritant
• RTECS: SN3500000
• European Hazard Symbols: Harmful (Xn)
• UN Number: 2735
• German water hazard class: 1
• Hazard Class: 8
• Packing Group: 3
• Risk Statements: 22-36/38; R:22-36/38
• Safety Statements: 26-28; S:26-28
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319
• GHS Precautionary statements: P305 + P351 + P338
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2735 8/PG 3
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥80% (GC); ≥90% (NT); ≥95% (NT); 70%; 95%; 95+%
• Grade: technical; technical grade
• Impurities: ≤30% 2,6-bis(dimethylaminomethyl)phenol
• Linear Formula: [(CH3)2NCH2]3C6H2OH

DETAILS

MP Biomedicals - 02157792

1 ml = approx. 0.97 g

MP Biomedicals - 05219126

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 45348

Application
Epoxy embedding medium, accelerator is used according to the protocol provided for Epoxy Embedding Medium kit, Prod. No. 45359 available on-line. The embedding media is used for electron microscopy.
Legal Information
Epon is a trademark of Momentive Specialty Chemicals, Inc.

Sigma Aldrich - T58203

Packaging
50, 250 mL in glass bottle