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637-55-8

Basic Information
CAS No.: 637-55-8
Name: PHENYL STEARATE
Article Data: 12
Molecular Structure:
Molecular Structure of 637-55-8 (PHENYL STEARATE)
Formula: C24H40O2
Molecular Weight: 360.58
Synonyms: Stearicacid, phenyl ester (6CI,7CI,8CI);NSC 57588;Phenyl octadecanoate;Phenyl stearate;
EINECS: 211-291-0
Density: 0.921 g/cm3
Melting Point: 47-54 °C
Boiling Point: 451.6 °C at 760 mmHg
Flash Point: 143.2 °C
Appearance: white to off-white powder
Safety: 24/25
PSA: 26.30000
LogP: 7.85350
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Specification

The Octadecanoic acid, phenyl ester, with the CAS registry number 637-55-8, is also known as Phenyl stearate. Its EINECS registry number is 211-291-0. This chemical's molecular formula is C24H40O2 and molecular weight is 360.57. What's more, its IUPAC name is Phenyl octadecanoate. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should be kept away from oxidant. During using it, you should avoid contacting with skin and eyes.

Physical properties about Octadecanoic acid, phenyl ester are: (1)ACD/LogP: 10.06; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 10.06; (4)ACD/LogD (pH 7.4): 10.06; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 7045802; (8)ACD/KOC (pH 7.4): 7045802; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 18; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.483; (14)Molar Refractivity: 111.71 cm3; (15)Molar Volume: 391.1 cm3; (16)Polarizability: 44.28×10-24 cm3; (17)Surface Tension: 34.1 dyne/cm; (18)Density: 0.921 g/cm3; (19)Flash Point: 143.2 °C; (20)Enthalpy of Vaporization: 71.07 kJ/mol; (21)Boiling Point: 451.6 °C at 760 mmHg; (22)Vapour Pressure: 2.4E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(Oc1ccccc1)CCCCCCCCCCCCCCCCC
(2) InChI: InChI=1/C24H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-24(25)26-23-20-17-16-18-21-23/h16-18,20-21H,2-15,19,22H2,1H3
(3) InChIKey: NUMNZKICGJJSHN-UHFFFAOYAS