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| CAS No.: | 621-27-2 |
|---|---|
| Name: | 3-N-PROPYLPHENOL |
| Molecular Structure: | |
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| Formula: | C9H12O |
| Molecular Weight: | 136.194 |
| Synonyms: | Phenol,m-propyl- (6CI,7CI,8CI);3-Propylphenol;3-n-Propylphenol;NSC 46998;m-Propylphenol; |
| EINECS: | 210-675-5 |
| Density: | 0.992 g/cm3 |
| Melting Point: | 26°C |
| Boiling Point: | 229.8 °C at 760 mmHg |
| Flash Point: | 108.8 °C |
| Solubility: | Soluble in water. |
| Hazard Symbols: | C,Xn |
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 20.23000 |
| LogP: | 2.34470 |
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Specification
The Phenol, 3-propyl-, with the CAS registry number 621-27-2, is also known as m-Propylphenol. Its EINECS registry number is 210-675-5. This chemical's molecular formula is C9H12O and molecular weight is 136.19. Its IUPAC name is called 3-propylphenol. The product should be sealed and stored in cool and dry place.
Physical properties of Phenol, 3-propyl-: (1)ACD/LogP: 3.01; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 113.13; (5)ACD/BCF (pH 7.4): 112.9; (6)ACD/KOC (pH 5.5): 1026.99; (7)ACD/KOC (pH 7.4): 1024.84; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.529; (12)Molar Refractivity: 42.31 cm3; (13)Molar Volume: 137.1 cm3; (14)Surface Tension: 37.1 dyne/cm; (15)Density: 0.992 g/cm3; (16)Flash Point: 108.8 °C; (17)Enthalpy of Vaporization: 48.54 kJ/mol; (18)Boiling Point: 229.8 °C at 760 mmHg; (19)Vapour Pressure: 0.0451 mmHg at 25°C.
Preparation: this chemical can be prepared by 1-(3-hydroxy-phenyl)-propan-1-ol. This reaction will need reagent hydrogen, hydrochloric acid and catalytic agent palladized charcoal. Besides, it also need solvent acetic acid. The yield is about 81%.
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Uses of Phenol, 3-propyl-: it can be used to produce 2,4,5,6-tetrabromo-3-propylphenol. This reaction will need reagent bromine, aluminium powder. The yield is about 75%.
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When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCC1=CC(=CC=C1)O
(2)InChI: InChI=1S/C9H12O/c1-2-4-8-5-3-6-9(10)7-8/h3,5-7,10H,2,4H2,1H3
(3)InChIKey: MPWGZBWDLMDIHO-UHFFFAOYSA-N