Phenol,4-(1-methylpropyl)-2-(1-phenylethyl)- supplier

Name
4-SEC-BUTYL-2-(A-METHYLBENZYL) PHENOL
EINECS 220-075-5
CAS No. 2622-83-5
Density 1.013 g/cm³
Solubility
Melting Point
Formula C₁₈H₂₂O
Boiling Point 358.3 °C at 760 mmHg
Molecular Weight 254.37
Flash Point 167.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Phenol,4-sec-butyl-2-(a-methylbenzyl)-(7CI,8CI);4-sec-Butyl-2-(a-methylbenzyl) phenol;NSC 97296;Phenol, p-sec-butyl-o-(a-methylbenzyl)-;4-(Butan-2-yl)-2-(1-phenylethyl)phenol;
PSA 20.23000
LogP 5.05750

Phenol,4-(1-methylpropyl)-2-(1-phenylethyl)- Specification

The Phenol,4-(1-methylpropyl)-2-(1-phenylethyl)-, with the CAS registry number 2622-83-5, is also known as 4-sec-Butyl-2-(a-methylbenzyl) phenol. This chemical's molecular formula is C₁₈H₂₂O and molecular weight is 254.37. What's more, its systematic name is 4-(Butan-2-yl)-2-(1-phenylethyl)phenol and its EINECS number is 220-075-5.

Physical properties of Phenol,4-(1-methylpropyl)-2-(1-phenylethyl)- are: (1)ACD/LogP: 5.69; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.69; (4)ACD/LogD (pH 7.4): 5.69; (5)ACD/BCF (pH 5.5): 12390.15; (6)ACD/BCF (pH 7.4): 12370.04; (7)ACD/KOC (pH 5.5): 29608.08; (8)ACD/KOC (pH 7.4): 29560.01; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.557; (14)Molar Refractivity: 80.9 cm³; (15)Molar Volume: 251 cm³; (16)Polarizability: 32.07×10^-24cm³; (17)Surface Tension: 38.7 dyne/cm; (18)Density: 1.013 g/cm³; (19)Flash Point: 167.3 °C; (20)Enthalpy of Vaporization: 62.76 kJ/mol; (21)Boiling Point: 358.3 °C at 760 mmHg; (22)Vapour Pressure: 1.24E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCC(C)C1=CC(=C(C=C1)O)C(C)C2=CC=CC=C2
(2)InChI: InChI=1S/C18H22O/c1-4-13(2)16-10-11-18(19)17(12-16)14(3)15-8-6-5-7-9-15/h5-14,19H,4H2,1-3H3
(3)InChIKey: QJNBIFRUSFIANU-UHFFFAOYSA-N

Product Name

4-SEC-BUTYL-2-(A-METHYLBENZYL) PHENOL

Phenol,4-(1-methylpropyl)-2-(1-phenylethyl)- Specification

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