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Cas Database |
| Name |
4-Hydroxy-2,6-dimethylbenzonitrile |
EINECS | N/A |
| CAS No. | 58537-99-8 | Density | 1.13g/cm3 |
| PSA | 44.02000 | LogP | 1.88068 |
| Solubility | N/A | Melting Point |
176 ºC |
| Formula | C9H9 N O | Boiling Point | 313.7°Cat760mmHg |
| Molecular Weight | 147.177 | Flash Point | 143.5°C |
| Transport Information | N/A | Appearance | off-white Solid Not available |
| Safety | S26-36/37/39 | Risk Codes | R20/21/22 |
| Molecular Structure |
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Hazard Symbols |
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| Synonyms |
4-Cyano-3,5-dimethylphenol;4-Hydroxy-2,6-dimethylbenzonitrile |
Article Data | 6 |
4-Hydroxy-2,6-dimethylbenzonitrile Chemical Properties
IUPAC Name: 4-hydroxy-2,6-dimethylbenzonitrile
Empirical Formula: C9H9NO
Molecular Weight: 147.1739g/mol
Structure of 4-Hydroxy-2,6-dimethylbenzonitrile (CAS NO.58537-99-8):
Index of Refraction: 1.563
Molar Refractivity: 42.09 cm3
Molar Volume: 129.4 cm3
Polarizability: 16.68×10-24cm3
Surface Tension: 50.3 dyne/cm
Density: 1.13 g/cm3
Flash Point: 143.5 °C
Enthalpy of Vaporization: 57.69 kJ/mol
Boiling Point: 313.7 °C at 760 mmHg
Vapour Pressure: 0.000265 mmHg at 25°C
Product Categories: Aromatic Nitriles;Phenyls & Phenyl-Het;Phenyls & Phenyl-Het
Canonical SMILES: CC1=CC(=CC(=C1C#N)C)O
InChI: InChI=1S/C9H9NO/c1-6-3-8(11)4-7(2)9(6)5-10/h3-4,11H,1-2H3
InChIKey: KZEJTKHRBQWACL-UHFFFAOYSA-N
4-Hydroxy-2,6-dimethylbenzonitrile Safety Profile
Hazard Codes: 
Xn
Risk Statements: 20/21/22-36/37/38
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39-36/37
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
RIDADR: 3276
Hazard Note: Harmful
4-Hydroxy-2,6-dimethylbenzonitrile Specification
4-Hydroxy-2,6-dimethylbenzonitrile , its cas register number is 58537-99-8. It also can be called 4-Cyano-3,5-dimethylphenol ; Benzonitrile, 4-hydroxy-2,6-dimethyl- ; 2,6-Dimethyl-4-hydroxybenzonitrile ; 4-Hydroxy-2,6-Dimethyl Benzonitrile .
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