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68439-46-3

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