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Cas Database |
| Name |
2,6-Diethylphenol |
EINECS | 213-744-8 |
| CAS No. | 1006-59-3 | Density | 0.979 g/cm3 |
| PSA | 20.23000 | LogP | 2.51700 |
| Solubility | N/A | Melting Point |
37.5°C |
| Formula | C10H14O | Boiling Point | 225.656 °C at 760 mmHg |
| Molecular Weight | 150.221 | Flash Point | 99.542 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26 | Risk Codes | 36 |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2,6-DIETHYLPHENOL;2,6-DIETHYLPHENOL 95%;2,6-diethylphenol(SALTDATA: FREE) |
Article Data | 30 |
2,6-Diethylphenol Chemical Properties
Molecular Structure of 2,6-Diethylphenol (1006-59-3):
EINECS: 213-744-8
IUPAC Name of 2,6-Diethylphenol (1006-59-3): 2,6-Diethylphenol
Molecular Formula: C10H14O
Molecular Weight: 150.217560 g/mol
XLogP3: 3
H-Bond Donor: 1
H-Bond Acceptor: 1
Canonical SMILES: CCC1=C(C(=CC=C1)CC)O
InChI: InChI=1S/C10H14O/c1-3-8-6-5-7-9(4-2)10(8)11/h5-7,11H,3-4H2,1-2H3
InChIKey: METWAQRCMRWDAW-UHFFFAOYSA-N
Index of Refraction: 1.527
Molar Refractivity: 47.23 cm3
Molar Volume: 153.4 cm3
Surface Tension: 35.8 dyne/cm
Density: 0.978 g/cm3
Flash Point: 99.5 °C
Enthalpy of Vaporization: 48.1 kJ/mol
Boiling Point: 225.7 °C at 760 mmHg
Vapour Pressure: 0.057 mmHg at 25 °C
Water Solubility: 743.9 mg/L at 25 °C
BRN: 2207162
2,6-Diethylphenol Toxicity Data With Reference
| 1. | ipr-mus LD50:230 mg/kg | JMPCAS Journal of Medicinal and Pharmaceutical Chemistry. 2 (1960),201. | ||
| 2. | ivn-mus LD50:100 mg/kg | JMCMAR Journal of Medicinal Chemistry. 23 (1980),1350. |
2,6-Diethylphenol Consensus Reports
Reported in EPA TSCA Inventory.
2,6-Diethylphenol Safety Profile
Poison by intravenous and intraperitoneal routes. When heated to decomposition it emits acrid smoke and irritating vapors.
2,6-Diethylphenol Specification
2,6-Diethylphenol (1006-59-3) is also known as 4-06-00-03351 (Beilstein Handbook Reference) ; Phenol, 2,6-diethyl- .
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