CAS No.31556-45-3,tridecyl stearate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	31556-45-3
Name:	tridecyl stearate

Formula:	C₃₁H₆₂O₂
Molecular Weight:	466.832
Synonyms:	Stearicacid, tridecyl ester (8CI);1-Tridecanol, stearate (8CI);Cirrasol LN-GS;Kemester 5721;Liponate TDS;NSC 152080;Tridecanol stearate;Tridecylstearate;Uniflex 188;tridecyl octadecanoate;octadecanoic acid, tridecyl ester;Stearic acid, tridecyl ester;Tridecanol stearate;tridecyl octadecanoate;Tridecyl stearate;
EINECS:	250-696-7
Density:	0.858 g/cm³
Boiling Point:	496 °C at 760 mmHg
Flash Point:	262.7 °C
PSA:	26.30000
LogP:	11.10210

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Specification

The Octadecanoic acid,tridecyl ester, with the CAS registry number 31556-45-3 and EINECS registry number 250-696-7, has the systematic name of tridecyl octadecanoate. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₃₁H₆₂O₂.

The characteristics of Octadecanoic acid,tridecyl ester are as followings: (1)ACD/LogP: 15.06; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 15.05; (4)ACD/LogD (pH 7.4): 15.05; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 29; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.454; (14)Molar Refractivity: 147.44 cm³; (15)Molar Volume: 543.7 cm³; (16)Polarizability: 58.45×10^-24cm³; (17)Surface Tension: 31.7 dyne/cm; (18)Density: 0.858 g/cm³; (19)Flash Point: 262.7 °C; (20)Enthalpy of Vaporization: 76.37 kJ/mol; (21)Boiling Point: 496 °C at 760 mmHg; (22)Vapour Pressure: 5.6E-10 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC
(2)InChI: InChI=1/C31H62O2/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-31(32)33-30-28-26-24-22-20-14-12-10-8-6-4-2/h3-30H2,1-2H3
(3)InChIKey: GKAVWWCJCPVMNR-UHFFFAOYAT