2-ethyl-6-methylaniline

• ChemBase ID: 92669
• Molecular Formular: C9H13N
• Molecular Mass: 135.20622
• Monoisotopic Mass: 135.10479942
• SMILES: Nc1c(cccc1C)CC
• Canonical SMILES: CCc1cccc(c1N)C
• InChI: InChI=1S/C9H13N/c1-3-8-6-4-5-7(2)9(8)10/h4-6H,3,10H2,1-2H3
• InChIKey: JJVKJJNCIILLRP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethyl-6-methylaniline
• IUPAC Traditional name: benzenamine, 2-ethyl-6-methyl-
• Synonyms: 3-Ethyl-2-aminotoluene; 6-Ethyl-o-toluidine; 2-Ethyl-6-methylaniline; 2-Ethyl-6-methylaniline; 2-Amino-3-ethyltoluene; 3-乙基-2-氨基甲苯; 6-乙基-邻甲苯胺; 2-甲基-6-乙基苯胺; 2-乙基-6-甲基苯胺

Database IDs

• CAS Number: 24549-06-2
• EC Number: 246-309-6
• MDL Number: MFCD00007752
• Beilstein Number: 2079468
• PubChem SID: 24849696; 162079367; 24862826
• PubChem CID: 32485

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.5931232
• LogD (pH = 7.4): 2.6154392
• Log P: 2.6157312
• Molar Refractivity: 45.4418 cm^3
• Polarizability: 16.875116 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -25°C; -33 °C(lit.)
• Boiling Point: 226-228°C; 231 °C(lit.)
• Flash Point: 192.2 °F; 89 °C; 89°C(192°F)
• Density: 0.968 g/mL at 25 °C(lit.); 0.969
• Refractive Index: 1.5520; n20/D 1.552(lit.)
• Vapor Pressure: 0.06 mmHg ( 20 °C)

Safety Information

• Storage Warning: Air & Light Sensitive
• RTECS: BY5600000
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 2
• Risk Statements: 20/21/22-52/53; 22
• Safety Statements: 36/37-61
• TSCA Listed: 是
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H311-H332-H227-H402-H412; H302-H331
• GHS Precautionary statements: P210-P301+P310-P361-P302+P352-P405-P501A; P261-P311
• 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%; 98%
• Grade: PESTANAL®, analytical standard
• Linear Formula: C2H5C6H3(CH3)NH2

DETAILS

Sigma Aldrich - 157724

Packaging
100, 500 g in glass bottle

Sigma Aldrich - 36771

Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH