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Name |
4-Isopropylphenyl acetate |
EINECS | 220-192-1 |
CAS No. | 2664-32-6 | Density | 1.006 g/cm3 |
PSA | 26.30000 | LogP | 2.73530 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H14O2 | Boiling Point | 241.3 °C at 760 mmHg |
Molecular Weight | 178.231 | Flash Point | 93.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Phenol,4-(1-methylethyl)-, acetate (9CI);Phenol, p-isopropyl-, acetate (6CI,7CI,8CI);4-Isopropylphenyl acetate;NSC 407857;p-Cumenyl acetate;p-Isopropylphenylacetate;4-(Propan-2-yl)phenyl acetate; |
Article Data | 20 |
The Phenol,4-(1-methylethyl)-, 1-acetate, with the CAS registry number 2664-32-6, is also known as 4-Isopropylphenyl acetate. This chemical's molecular formula is C11H14O2 and molecular weight is 178.23. What's more, its systematic name is 4-(Propan-2-yl)phenyl acetate and its EINECS number is 220-192-1.
Physical properties of Phenol,4-(1-methylethyl)-, 1-acetate are: (1)ACD/LogP: 2.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.89; (4)ACD/LogD (pH 7.4): 2.89; (5)ACD/BCF (pH 5.5): 93.22; (6)ACD/BCF (pH 7.4): 93.22; (7)ACD/KOC (pH 5.5): 894.08; (8)ACD/KOC (pH 7.4): 894.08; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.496; (14)Molar Refractivity: 51.77 cm3; (15)Molar Volume: 177.1 cm3; (16)Polarizability: 20.52×10-24 cm3; (17)Surface Tension: 32.7 dyne/cm; (18)Density: 1.006 g/cm3; (19)Flash Point: 93.1 °C; (20)Enthalpy of Vaporization: 47.82 kJ/mol; (21)Boiling Point: 241.3 °C at 760 mmHg; (22)Vapour Pressure: 0.0362 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)C1=CC=C(C=C1)OC(=O)C
(2)InChI: InChI=1S/C11H14O2/c1-8(2)10-4-6-11(7-5-10)13-9(3)12/h4-8H,1-3H3
(3)InChIKey: SGFXBRIXZGHPBH-UHFFFAOYSA-N