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| CAS No.: | 7495-77-4 |
|---|---|
| Name: | 4-ISOPROPOXYPHENOL |
| Molecular Structure: | |
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| Formula: | C9H12O2 |
| Molecular Weight: | 152.193 |
| Synonyms: | Phenol,p-isopropoxy- (7CI,8CI);p-Isopropoxyphenol; |
| EINECS: | 231-346-2 |
| Density: | 1.047 g/cm3 |
| Boiling Point: | 254.2 °C at 760 mmHg |
| Flash Point: | 118.2 °C |
| Risk Codes: | 36 |
| Safety: | 26 |
| PSA: | 29.46000 |
| LogP: | 2.17940 |
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Specification
The Phenol, 4-(1-methylethoxy)-, with the CAS registry number of 7495-77-4, is also known as p-Isopropoxyphenol. Its EINECS registry number is 231-346-2. This chemical's molecular formula is C9H12O2 and molecular weight is 152.19038. What's more, its IUPAC name is 4-Propan-2-yloxyphenol.
Physical properties about Phenol, 4-(1-methylethoxy)- are: (1)ACD/LogP: 2.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.19; (4)ACD/LogD (pH 7.4): 2.19; (5)ACD/BCF (pH 5.5): 27.1; (6)ACD/BCF (pH 7.4): 27.09; (7)ACD/KOC (pH 5.5): 369.24; (8)ACD/KOC (pH 7.4): 369.09; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.518; (14)Molar Refractivity: 44.03 cm3; (15)Molar Volume: 145.2 cm3; (16)Surface Tension: 36 dyne/cm; (17)Density: 1.047 g/cm3; (18)Flash Point: 118.2 °C; (19)Enthalpy of Vaporization: 51.15 kJ/mol; (20)Boiling Point: 254.2 °C at 760 mmHg; (21)Vapour Pressure: 0.0109 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O(c1ccc(O)cc1)C(C)C
(2) InChI: InChI=1/C9H12O2/c1-7(2)11-9-5-3-8(10)4-6-9/h3-7,10H,1-2H3
(3) InChIKey: QEYQMWSESURNPP-UHFFFAOYAF