CAS No.26761-40-0,Diisodecyl phthalate Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	26761-40-0
Name:	Diisodecyl phthalate

Formula:	C₂₈H₄₆O₄
Molecular Weight:	446.74
Synonyms:	1,2-Benzenedicarboxylicacid, diisodecyl ester (9CI);Phthalic acid, diisodecyl ester (6CI,8CI);Isodecyl alcohol, phthalate (2:1) (8CI);Bis(isodecyl) phthalate;DIDP;Emkarate 1020;Hexaplas DIDP;Isodecyl phthalate;JayflexDIDP;PX 120;Palatinol Z;Plasthall DIDP;Reomol DiDP;Sansocizer DIDP;Sicol184;Vestinol DZ;
EINECS:	247-977-1
Density:	0.964 g/cm³
Melting Point:	235 °C
Boiling Point:	425.8 °C at 760 mmHg
Flash Point:	227.6 °C
Solubility:	Insoluble in water
Appearance:	Colorless liquid
Hazard Symbols:	N
Risk Codes:	50/53
Safety:	23-24/25
PSA:	52.60000
LogP:	7.99340

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The IUPAC name of Phthalic acid, diisodecyl ester is bis(8-methylnonyl) benzene-1,2-dicarboxylate. With the CAS registry number 26761-40-0, it is also named as 1,2-Benzenedicarboxylic acid, diisodecyl ester. The product's categories are Functional Materials; Phthalates (Plasticizer); Plasticizer; Analytical / Chromatography; Ion Sensor Materials; Plasticizer for ISE. It is colorless liquid which is insoluble in water. In addition, this chemical is highly toxic and flammable. When buring, it will produce irritant fumes. So the storage environment should be ventilate, low-temperature and dry. Keep Phthalic acid, diisodecyl ester separate from raw materials of food. It is dangerous to people, so we should not breathe vapour and avoid contact with skin and eyes. Moreover, it this chemical should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 10.83; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 10.83; (4)ACD/LogD (pH 7.4): 10.83; (5)#H bond acceptors: 4; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 20; (8)Index of Refraction: 1.486; (9)Molar Refractivity: 133.1 cm³; (10)Molar Volume: 463 cm³; (11)Polarizability: 52.76×10^-24 cm³; (12)Surface Tension: 35.1 dyne/cm; (13)Flash Point: 227.6 °C; (14)Enthalpy of Vaporization: 68.05 kJ/mol; (15)Boiling Point: 425.8 °C at 760 mmHg; (16)Vapour Pressure: 1.86E-07 mmHg at 25°C; (17)Rotatable Bond Count: 20; (18)Exact Mass: 446.33961; (19)MonoIsotopic Mass: 446.33961; (20)Topological Polar Surface Area: 52.6; (21)Heavy Atom Count: 32; (22)Complexity: 442.

Uses of Phthalic acid, diisodecyl ester: It is mainly used as plasticizers and used primarily to soften polyvinyl chloride. In addition, this chemical is used in a large variety of products, from enteric coatings of pharmaceutical pills and nutritional supplements to viscosity control agents, gelling agents, film formers, stabilizers, dispersants, lubricants, binders, emulsifying agents, and suspending agents.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C
2. InChI:InChI=1/C28H46O4/c1-23(2)17-11-7-5-9-15-21-31-27(29)25-19-13-14-20-26(25)28(30)32-22-16-10-6-8-12-18-24(3)4/h13-14,19-20,23-24H,5-12,15-18,21-22H2,1-4H3

The following are the toxicity data which has been tested.

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
guinea pig	LC	inhalation	> 130mg/m3/6H (130mg/m³)	Exxon Chemical Company.
mouse	LC	inhalation	> 130mg/m3/6H (130mg/m³)	Exxon Chemical Company.
rabbit	LD50	skin	> 3160mg/kg (3160mg/kg)	Exxon Chemical Company.
rabbit	LDLo	oral	22500uL/kg (22.5mL/kg)	EHP, Environmental Health Perspectives. Vol. 3, Pg. 61, 1973.
rat	LC	inhalation	> 130mg/m³/6H (130mg/m³)	Exxon Chemical Company.
rat	LD50	oral	64gm/kg (64000mg/kg)	EHP, Environmental Health Perspectives. Vol. 3, Pg. 131, 1973.