Hexanedioic acid,1,6-diisodecyl ester supplier

Name
DIISODECYL ADIPATE
EINECS 248-299-9
CAS No. 27178-16-1
Density 0.916 g/cm³
Solubility 100μg/L at 25℃
Melting Point -59 °C
Formula C₂₆H₅₀O₄
Boiling Point 428 °C at 760 mmHg
Molecular Weight 426.67
Flash Point 189.7 °C
Transport Information
Appearance
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 52.60000
LogP 7.62640

Hexanedioic acid,1,6-diisodecyl ester 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.

Product Name

DIISODECYL ADIPATE

Hexanedioic acid,1,6-diisodecyl ester Specification

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