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Polyethylene glycol mono(octylphenyl) ether
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Name

Polyethylene glycol mono(octylphenyl) ether

 EINECS 999-999-2
CAS No. 9036-19-5 Density 1.06g/mLat 20°C
PSA 38.69000 LogP 3.78810
Solubility Miscible with water. Melting Point 0.05°C
Formula (C2H4O)n C14H22O Boiling Point 402.6ºC at 760mmHg
Molecular Weight 294.42900 Flash Point >230°F
Transport Information N/A Appearance Light yellow liquid.
Safety 26-39-61 Risk Codes 41-38-22-51/53-52/53
Molecular Structure Molecular Structure of 9036-19-5 (2-(2-[4-(1,1,3,3-Tetramethylbutyl)phenoxy]ethoxy)ethanol) Hazard Symbols Xn,Xi,N
Synonyms

Glycols,polyethylene, mono[(1,1,3,3-tetramethylbutyl)phenyl] ether (8CI);Nonion HS 2045;Nonion HS 206;Nonion HS208;Nonion HS 210;Nonion HS 220;Nonion HS 240;OF 7;OP;OP (Chinesesurfactant);OP 1062;OP 115;OP 13.2;OP 15;OP 17.7;OP 2;OP 2(Chinese surfactant);OP 20;OP 20 (Chinese surfactant);OP 21;OP 21(surfactant);OP 3;OP 3 (Chinese surfactant);OP 30;OP 40;Octapol 100;Octapol 80;Octoxynol;Octoxynol 10;Octoxynol 11;Octoxynol 13;Octoxynol 3;Octoxynol 33;Octoxynol 40;Octoxynol 9;Nikkol OP 18TX;Nikkol OP 5;Nissan HS240;Nissan Nonion HS;Nissan Nonion HS 204.5;Nissan Nonion HS 206;NissanNonion HS 208;Nissan Nonion HS 210;Nissan Nonion HS 215;Nissan Nonion HS220;Nissan Nonion HS 230;Nissan Nonion HS 240;Nissan Nonion HS 270;NoigenEA 102;Noigen EA 110;Noigen EA 112;Noigen EA 120;Noigen EA 140;Noigen EA142;Noigen EA 151;Noigen EA 160;Noigen EA 170;Noigen EA 190D;Noigen EA 92;Nonal 109;Nonal 310;Nonidet P 40;2-(2-[4-(1,1,3,3-Tetramethylbutyl)phenoxy]ethoxy)ethanol;Octylphenol ethoxylate;Octylphenoxypoly(ethoxyethanol);Alkasurf OP;Alkasurf OP 10;Alkasurf OP 12;Alkasurf OP 30;Alkasurf OP 40;Alkasurf OP 5;Alkasurf OP 8;Blaunon NK 8055;CA 897;Cemulsol OP 16;Cemulsol P 9;ChargerE;Companion;DeIonic OPE 10;EA142;EP 680;Emulgen 810;Emulgen 840S;Ethoxylated octylphenol;Ethylan CPX;HS208;HS 215;Hydrol (surfactant);Hyonic OP 9;Igepal CA 210;Igepal CA 300;Igepal CA 420;Igepal CA 620;Igepal CA 720;Igepal CA887;Igepal CA 897;Macol OP 10;Macol OP 5;Marlophen 84;Marlophen 85;Monopol OP 1013;Monopol OP 1019;NP 40;Neutronyx 622;Newcol 804;Newcol 860;Newcol 864;Nikkol DP 3;SINOPOL 808;Octoxynol-N;

 

Polyethylene glycol mono(octylphenyl) ether Consensus Reports

Reported in EPA TSCA Inventory.

Polyethylene glycol mono(octylphenyl) ether Specification

The IUPAC name of Octoxynol-20 is 2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanol. With the CAS registry number 9036-19-5, it is also named as PEG-1 Octyl phenyl ether. The product's categories are Core Bioreagents; Detergents A to Z Detergents; Detergents; Non-Ionic; Research Essentials, and the other registry numbers are 11130-43-1; 120026-27-9; 12679-74-2; 1336-60-3; 141443-66-5; 188612-22-8; 39283-49-3; 39316-46-6; 39320-65-5; 39341-03-2; 50815-48-0; 52628-05-4; 53663-54-0; 53858-66-5; 54834-97-8; 55068-75-2; 55600-46-9; 58056-95-4; 59112-84-4; 63172-50-9; 71538-51-7; 73904-96-8; 77137-66-7; 881841-96-9; 881842-18-8; 9081-83-8. Besides, it is liquid, which should be stored in closed, cool and dry place. It is a complete membrane protein separation reagent and non-ionic detergent agent. In addition, its molecular formula is C18H30O3 and molecular weight is 294.43.

The other characteristics of Octoxynol-20 can be summarized as: (1)ACD/LogP: 4.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.53; (4)ACD/LogD (pH 7.4): 4.53; (5)ACD/BCF (pH 5.5): 1636.13; (6)ACD/BCF (pH 7.4): 1636.13; (7)ACD/KOC (pH 5.5): 6951.01; (8)ACD/KOC (pH 7.4): 6951.01; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 27.69 Å2; (13)Index of Refraction: 1.492; (14)Molar Refractivity: 86.99 cm3; (15)Molar Volume: 299.5 cm3; (16)Polarizability: 34.48×10-24cm3; (17)Surface Tension: 33.7 dyne/cm; (18)Density: 0.982 g/cm3; (19)Flash Point: 197.3 °C; (20)Enthalpy of Vaporization: 68.94 kJ/mol; (21)Boiling Point: 402.6 °C at 760 mmHg; (22)Vapour Pressure: 3.33E-07 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: it is risk of serious damage to the eyes and irritating to skin. It is also harmful if swallowed. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear eye / face protection.

People can use the following data to convert to the molecule structure.
(1)SMILES: O(c1ccc(cc1)C(C)(C)CC(C)(C)C)CCOCCO
(2)InChI: InChI=1/C18H30O3/c1-17(2,3)14-18(4,5)15-6-8-16(9-7-15)21-13-12-20-11-10-19/h6-9,19H,10-14H2,1-5H3
(3)InChIKey: LBCZOTMMGHGTPH-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C18H30O3/c1-17(2,3)14-18(4,5)15-6-8-16(9-7-15)21-13-12-20-11-10-19/h6-9,19H,10-14H2,1-5H3
(5)Std. InChIKey: LBCZOTMMGHGTPH-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 70mg/kg (70mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 38, Pg. 428, 1949.
mouse LD50 oral 3500mg/kg (3500mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 38, Pg. 428, 1949.
rat LD50 intraperitoneal 770mg/kg (770mg/kg)   Food and Chemical Toxicology. Vol. 22, Pg. 665, 1984.
rat LD50 oral 4mL/kg (4mL/kg)   Proceedings of the Scientific Section of the Toilet Goods Association. Vol. 20, Pg. 16, 1953.
rat LD50 oral 2800mg/kg (2800mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Toxicology and Applied Pharmacology. Vol. 5, Pg. 782, 1963.
rat LD50 oral 3600mg/kg (3600mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Toxicology and Applied Pharmacology. Vol. 5, Pg. 782, 1963.
rat LD50 oral 4190mg/kg (4190mg/kg)   Food and Chemical Toxicology. Vol. 22, Pg. 665, 1984.

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