Product Name

  • Name

    3-Diethylaminophenol

  • EINECS 202-090-9
  • CAS No. 91-68-9
  • Article Data26
  • CAS DataBase
  • Density 1.04 g/cm3
  • Solubility Water: <0.1 g/100 mL at 20.5 °C
  • Melting Point 70-73 °C
  • Formula C10H15NO
  • Boiling Point 278 °C at 760 mmHg
  • Molecular Weight 165.235
  • Flash Point 139.1 °C
  • Transport Information UN 2512 6.1/PG 3
  • Appearance White rhombus crystal
  • Safety 36/37/39-45-22-26-36
  • Risk Codes 25-36/37/38
  • Molecular Structure Molecular Structure of 91-68-9 (3-Diethylaminophenol)
  • Hazard Symbols ToxicT,IrritantXi
  • Synonyms Phenol,m-(diethylamino)- (6CI,7CI,8CI);3-(Diethylamino)phenol;3-(N,N-Diethylamino)phenol;3-Hydroxy-N,N-diethylaniline;N,N-Diethyl-3-Hydroxybenzenamine;N,N-Diethyl-3-aminophenol;N,N-Diethyl-3-hydroxyaniline;N,N-Diethyl-m-aminophenol;NSC 93934;m-(Diethylamino)phenol;m-Hydroxy-N,N-diethylaniline;
  • PSA 23.47000
  • LogP 2.23840

3-Diethylaminophenol Consensus Reports

Reported in EPA TSCA Inventory.

3-Diethylaminophenol Specification

The 3-(Diethylamino)phenol with CAS registry number of 91-68-9 is also known as Phenol, 3-(diethylamino)-. The IUPAC name and product name are the same. It belongs to product categories of Dye Intermediate; Organic Building Blocks; Oxygen Compounds; Phenols. Its EINECS registry number is 202-090-9. In addition, the formula is C10H15NO and the molecular weight is 165.23. This chemical is a white rhombus crystal  and should be stored in sealed containers in cool, dry place.

Physical properties about 3-(Diethylamino)phenol are: (1)ACD/LogP: 2.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.72; (4)ACD/LogD (pH 7.4): 2.58; (5)ACD/BCF (pH 5.5): 7.28; (6)ACD/BCF (pH 7.4): 52.87; (7)ACD/KOC (pH 5.5): 79.97; (8)ACD/KOC (pH 7.4): 580.42; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.564; (13)Molar Refractivity: 51.71 cm3; (14)Molar Volume: 158.8 cm3; (15)Surface Tension: 41.7 dyne/cm; (16)Density: 1.04 g/cm3; (17)Flash Point: 139.1 °C; (18)Enthalpy of Vaporization: 53.74 kJ/mol; (19)Boiling Point: 278 °C at 760 mmHg; (20)Vapour Pressure: 0.00259 mmHg at 25 °C.

Preparation of 3-(Diethylamino)phenol: it is prepared by reaction of N,N-diethyl-aniline. This reaction needs reagents H2O2, SbF5-HF at -20 °C for 15 minutes. The yield is about 45%.

3-(Diethylamino)phenol is prepared by reaction of N,N-diethyl-aniline.

Uses of 3-(Diethylamino)phenol: it is used for organic synthesis. For example, it is used to produce methyl-carbamic acid-(3-diethylamino-phenyl ester) by reaction with isocyanatomethane. The reaction occurs with reagent triethylamine and solvent tetrahydrofuran for 1 hour. The yield is about 82%.

3-(Diethylamino)phenol is used for organic synthesis.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. Besides, it is toxic if swallowed. During using it, wear suitable protective clothing, gloves and eye/face protection. Do not breathe dust. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If accident happens or you feel unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: CCN(CC)C1=CC(=CC=C1)O
2. InChI: InChI=1S/C10H15NO/c1-3-11(4-2)9-6-5-7-10(12)8-9/h5-8,12H,3-4H2,1-2H3
3. InChIKey: WAVOOWVINKGEHS-UHFFFAOYSA-N

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