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27178-16-1

Basic Information
CAS No.: 27178-16-1
Name: DIISODECYL ADIPATE
Molecular Structure:
Molecular Structure of 27178-16-1 (DIISODECYL ADIPATE)
Formula: C26H50O4
Molecular Weight: 426.67
Synonyms: Adipicacid, diisodecyl ester (6CI,7CI,8CI);Hexanedioic acid, diisodecyl ester (9CI);Isodecyl alcohol, adipate (2:1) (8CI);Adipic acid diisodecyl diester;DIDA;DIDA (plasticizer);Diacizer DIDA;Diisodecyl adipate;Emery 2970;Hatco 2910;Jayflex DIDA;Jayflex DIDA 2;Plasthall DIDA;Plastomoll DIDA;SynativeES-DIDA;Trivent DIDA;Vinycizer 50;Witamol 380;bis(8-methylnonyl) hexanedioate;Hexanedioic acid, bis(8-methylnonyl) ester;Bis(8-methylnonyl) adipate;
EINECS: 248-299-9
Density: 0.916 g/cm3
Melting Point: -59 °C
Boiling Point: 428 °C at 760 mmHg
Flash Point: 189.7 °C
Solubility: 100μg/L at 25℃
Safety: 24/25
PSA: 52.60000
LogP: 7.62640
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    About Product Technical Details DIISODECYL ADIPATE Chemical Properties Melting point -59°C Boiling point 282°C density 0,92 g/cm3 vapor pressure 0Pa at 2

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    Name: Diisodecyl adipate (DIDA) CAS RN :27178-16-1 EINECS no. :248-299-9 Molecular formula: C26H50O4 Appearance:Colorless clear liquid Storage:Preserve in well-closed, light-resistant and airtight containers. Package:25kg/drum Application:Rubber A

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Specification

The Hexanedioic acid,1,6-diisodecyl ester, with the CAS registry number 27178-16-1 and EINECS registry number 248-299-9, has the systematic name of bis(8-methylnonyl) hexanedioate. It belongs to the following  product categories: Fatty Acid Esters (Plasticizer); Functional Materials; Plasticizer; Plasticizers; Polymer Additives; Polymer Science; Analytical/Chromatography; Ion Sensor Materials; Plasticizer for ISE. And the molecular formula of the chemical is C26H50O4. What's more, it is a kind of plasticizer which has a good cold tolerance.

The characteristics of Hexanedioic acid,1,6-diisodecyl ester are as followings: (1)ACD/LogP: 10.23; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 10.23; (4)ACD/LogD (pH 7.4): 10.23; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 8715070; (8)ACD/KOC (pH 7.4): 8715070; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 23; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.453; (14)Molar Refractivity: 125.97 cm3; (15)Molar Volume: 465.4 cm3; (16)Polarizability: 49.93×10-24cm3; (17)Surface Tension: 32.4 dyne/cm; (18)Density: 0.916 g/cm3; (19)Flash Point: 189.7 °C; (20)Enthalpy of Vaporization: 68.3 kJ/mol; (21)Boiling Point: 428 °C at 760 mmHg; (22)Vapour Pressure: 1.57E-07 mmHg at 25°C. 

Preparation of Hexanedioic acid,1,6-diisodecyl ester: This chemical can be prepared by adipic acid and isodecanol. The reaction also need the catalyst H2SO4. The reaction equation is as follows:



Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C
(2)InChI: InChI=1/C26H50O4/c1-23(2)17-11-7-5-9-15-21-29-25(27)19-13-14-20-26(28)30-22-16-10-6-8-12-18-24(3)4/h23-24H,5-22H2,1-4H3
(3)InChIKey: YKGYQYOQRGPFTO-UHFFFAOYAF

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 20500mg/kg (20500mg/kg)   International Polymer Science and Technology. Vol. 3, Pg. 93, 1976.