4-Isopropylphenyl acetate supplier

Name
4-Isopropylphenyl acetate
EINECS 220-192-1
CAS No. 2664-32-6
Article Data20
CAS DataBase
Density 1.006 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₄O₂
Boiling Point 241.3 °C at 760 mmHg
Molecular Weight 178.231
Flash Point 93.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 26.30000
LogP 2.73530

4-Isopropylphenyl acetate Specification

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^-24cm³; (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

Product Name

4-Isopropylphenyl acetate

4-Isopropylphenyl acetate Specification

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