CAS No.9002-93-1,OCTYLPHENYLPOLYETHYLENE GLYCOL Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	9002-93-1
Name:	OCTYLPHENYLPOLYETHYLENE GLYCOL

Formula:	(C₂H₄O)_nC₁₄H₂₂O
Molecular Weight:	250.37600
Synonyms:	Poly(oxy-1,2-ethanediyl), α-[4-(1,1,3,3-tetramethylbutyl)phenyl]-ω-hydroxy-;Glycols,polyethylene, mono[p-(1,1,3,3-tetramethylbutyl)phenyl] ether (8CI);Phenol,p-(1,1,3,3-tetramethylbutyl)-, monoether with polyethylene glycol (8CI);(p-t-Octylphenoxy)polyethoxyethanol;Anapoe X 114;Antarox A 200;Criton X 100;Hydrol SW;Iconol OP;Koromex II;NOP 90;Nonidel P 40;OPE 30;Octoxynol 5;Ortho-Gynol;Photo-Flow 200;Poly(oxyethylene) p-tert-octylphenyl ether;Polyethylene glycol mono(4-octylphenyl) ether;Polyethylene glycolmono(4-tert-octylphenyl) ether;Polyethylene glycol mono(p-tert-octylphenyl)ether;Polyethylene glycol mono[p-(1,1,3,3-tetramethylbutyl)phenyl] ether;Polyethylene glycol p-(1,1,3,3-tetramethylbutyl)phenyl ether;Polyethyleneglycol p-octylphenol ether;Polyethylene glycol p-octylphenyl ether;Polyethylene glycol p-tert-octylphenol ether;Polyethylene glycolp-tert-octylphenyl ether;Polyethylene oxide-p-tert-octylphenyl ether;Polyoxyethylene (10) octylphenyl ether;Polyoxyethylene (13) octylphenyl ether;Polyoxyethylene (9) octylphenyl ether;Polyoxyethyleneglycol-p-tert-octylphenyl ether;Polyoxyethylene mono(octylphenyl) ether;Preceptin;TX 100;TX 102;TX 305;TX 35;TX 405;Texofor FP 300;Triton 100;Triton X 10;Triton X 100;Triton X 101;Triton X 102;Triton X 114;Triton X 15;Triton X165;Triton X 305;Triton X 35;Triton X 405;Triton X 45;Triton X 705;TritonX 705-70;X 405;p-tert-Octylphenoxy polyethoxyethanol;a-[p-(1,1,3,3-Tetramethylbutyl)phenyl]-w-hydroxypoly(oxyethylene);Polyethylene glycol octylphenyl ether;Emulsifier op-10;SINOPOL 864;Polyoxyethylene Octylphenyl Ether;Octoxynol 9;
EINECS:	255-695-5
Density:	1.07 g/cm³
Melting Point:	1oC
Boiling Point:	6 °C
Flash Point:	250oC(lit.)
Solubility:	Miscible with water.
Appearance:	Clear oily liquid
Hazard Symbols:	Xi,Xn,N
Risk Codes:	41-36/38-22-51/53-36-36/37/38-37/38-52/53
Safety:	26-39-36-61-36/39-36/37/39
PSA:	29.46000
LogP:	3.77150

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Consensus Reports

Glycol ether compounds are on the Community Right-To-Know List. POLY(OXYETHYLENE)-p-tert-OCTYLPHENYL ETHER(9002-93-1) is reported in EPA TSCA Inventory.

Specification

Triton X-100(C₁₄H₂₂O(C₂H₄O)n) is a nonionic surfactant which has a hydrophilic polyethylene oxide chain and an aromatic hydrocarbon lipophilic or hydrophobic group. With the CAS No.9002-93-1, it is also named as Octoxynol-9; Polyethylene glycol tert-octylphenyl ether. TRITON X-100 is soluble at 25℃ in water, toluene, xylene, trichloro-ethylene, ethylene glycol, ethyl ether, ethyl alcohol, isopropyl alcohol, ethylene dichloride but unless a coupling agent like oleic acid is used, is insoluble in kerosene, mineral spirits, and VM&P naphtha.

Physical properties about Triton X-100 are: (1)ACD/LogP: 4.992; (2)ACD/LogD (pH 5.5): 4.99; (3)ACD/LogD (pH 7.4): 4.99; (4)ACD/BCF (pH 5.5): 3661.38; (5)ACD/BCF (pH 7.4): 3661.38; (6)ACD/KOC (pH 5.5): 12372.32 ; (7)ACD/KOC (pH 7.4): 12372.32; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 7; (11)Index of Refraction: 1.496; (12)Molar Refractivity: 75.983 cm³; (13)Molar Volume: 260.211 cm³; (14)Polarizability: 30.122 10-24cm³; (15)Surface Tension: 32.8019981384277 dyne/cm; (16)Density: 0.962 g/cm³; (17)Flash Point: 136.562 °C; (18)Enthalpy of Vaporization: 62.878 kJ/mol; (19)Boiling Point: 351.17 °C at 760 mmHg

Uses of Triton X-100: Triton X-100 is a commonly used detergent in laboratories. Apart from laboratory use, Triton X-100 can be found in several types of cleaning compounds,[6] ranging from heavy-duty industrial products to gentle detergents. It is also a popular ingredient in homemade vinyl record cleaning fluids together with distilled water and isopropyl alcohol.

When you are using this chemical, please be cautious about it as the following:
1. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice;
2. Wear suitable protective clothing;
3. Wear eye/face protection;
4. Avoid release to the environment. Refer to special instructions safety data sheet;
5. Wear suitable protective clothing and eye/face protection;
6. Wear suitable protective clothing, gloves and eye/face protection;

You can still convert the following datas into molecular structure:
(1)SMILES:O(c1ccc(cc1)C(C)(C)CC(C)(C)C)CCO;
(2)Std. InChI:InChI=1S/C16H26O2/c1-15(2,3)12-16(4,5)13-6-8-14(9-7-13)18-11-10-17/h6-9,17H,10-12H2,1-5H3;
(3)Std. InChIKey:JYCQQPHGFMYQCF-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
mouse	LD50	intravenous	1200mg/kg (1200mg/kg)	Bollettino Chimico Farmaceutico. Vol. 101, Pg. 173, 1962.
mouse	LD50	unreported	154mg/kg (154mg/kg)	Byulleten' Eksperimental'noi Biologii i Meditsiny. Bulletin of Experimental Biology and Medicine. For English translation, see BEXBAN. Vol. 112(10), Pg. 423, 1991.
rat	LD50	oral	1800mg/kg (1800mg/kg)	Proceedings of the Scientific Section of the Toilet Goods Association. Vol. 20, Pg. 16, 1953.
rat	LD50	oral	1900mg/kg (1900mg/kg)	Proceedings of the Scientific Section of the Toilet Goods Association. Vol. 20, Pg. 16, 1953.
rat	LD50	oral	3800mg/kg (3800mg/kg)	Proceedings of the Scientific Section of the Toilet Goods Association. Vol. 20, Pg. 16, 1953.