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Alcohols, C9-11, ethoxylated

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Name

Alcohols, C9-11, ethoxylated

EINECS 614-482-0
CAS No. 68439-46-3 Density 0.94[at 20℃]
PSA 29.46000 LogP 3.52610
Solubility Dispersed in water to soluble in water. Melting Point N/A
Formula C13H28O2 Boiling Point 260℃[at 101 325 Pa]
Molecular Weight 0 Flash Point N/A
Transport Information N/A Appearance colorless transparent liquid to white paste to white flake or granular. faint characteristic odor.
Safety Moderately toxic by ingestion and skin contact. When heated to decomposition it emits acrid smoke and irritating vapors. Risk Codes N/A
Molecular Structure Molecular Structure of 68439-46-3 (C9-11 PARETH-3) Hazard Symbols
Synonyms

91-2.5T;Alcosperse 415;Berol 260;Berol 266;Berol OX 91-4;Berol OX 91-8;C9-11Pareth-3;C9-11 Pareth-6;Caflon DP 848;Dobanol 91-10;Dobanol 91-2.5;Dobanol91-3;Dobanol 91-4;Dobanol 91-5;Dobanol 91-6;Dobanol 91-8;Dobanol 91-8T;Empilan KR 6;Ethoxylated C9-11 alcs.;Ethoxylated alcohols, C9-11;Ethylan CD9112;Ethylan CD 913;Ethylan CD 915;Ethylan CD 916;Ethylan CD 917;Genapol Z0309X;Imbentin 91/35OFA;Imbentin C 91/095;Imbentin C 91/100;Lissapol 91/6;Lutensol ON 30;Lutensol ON 70;Lutensol ON 80;Neodol 91-12;Neodol 91-2.5;Neodol 91-5;Neodol 91-5E;Neodol 91-6;Neodol 91-6E;Neodol 91-8;Neodol91-8E;Neodol 91-8T;Neodol R 91-6;Nonidet 91-6T;ON 30;ON 80;Rhodasurf91-6;Synperonic 91;Synperonic 91-8T;Synperonic 91/10;Synperonic 91/2.5;Synperonic 91/20;Synperonic 91/4;Synperonic 91/5;Synperonic 91/6;Synperonic91/8;Teric G 9A5;Teric G 9A6;Teric G 9A8;Tomadol 91-2.5;Tomadol 91-6;Ukanil 85;Ethoxylated C9-11 Alcohols;

 

Alcohols, C9-11, ethoxylated Specification

Alcohols, C9-11, ethoxylated, with the CAS Number 68439-46-3, it is also called C9-C11alcohol ethoxylates; Alcohols, C9-C11-alkyl, ethoxylated; Ethoxylated alcohols, C9-C11; Nonionic Surfactants; C9-11 Pareth-3 , -6, -8; Pareth-91-3 , -6, -8; C9-11 Pareth-8. It is colorless liquid with mild odo, and Alcohols, C9-11, ethoxylated is used as surfactants in laundry detergents, surface cleaners, cosmetics, pesticides, textiles, and paint.

Physical properties about Alcohols, C9-11, ethoxylated are: (1)ACD/LogP:4.701; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.70; (4)ACD/LogD (pH 7.4): 4.70; (5)ACD/BCF (pH 5.5): 2200.63; (6)ACD/BCF (pH 7.4): 2200.63; (7)ACD/KOC (pH 5.5): 8593.91; (8)ACD/KOC (pH 7.4): 8593.91; (9)#H bond acceptors:1; (10)#Freely Rotating Bonds: 9; (11)Index of Refraction: 1.419; (12)Molar Refractivity: 54.756 cm3; (13)Molar Volume: 216.472 cm3; (14)Polarizability: 21.707 10-24cm3; (15)Surface Tension: 26.1359996795654 dyne/cm; (16)Density: 0.796 g/cm3; (17)Flash Point: 68.056 °C; (18)Enthalpy of Vaporization: 42.47 kJ/mol; (19)Boiling Point: 206.527 °C at 760 mmHg; (20)Vapour Pressure: 0.33899998664856 mmHg at 25°C

You can still convert the following datas into molecular structure:
(1)SMILES:CCOCCCCCCCCC;
(2)Std. InChI:InChI=1S/C11H24O/c1-3-5-6-7-8-9-10-11-12-4-2/h3-11H2,1;
(3)Std. InChIKey:BCHGIXRCMJWXGE-UHFFFAOYSA-N;

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 2gm/kg (2000mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
Journal of the American College of Toxicology. Vol. 10(4), Pg. 427, 1991.
rat LD50 oral 1378mg/kg (1378mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
Journal of the American College of Toxicology. Vol. 10(4), Pg. 427, 1991.

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