CAS No.3282-85-7,sodium 3,9-diethyltridecan-6-yl sulphate Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	3282-85-7
Name:	sodium 3,9-diethyltridecan-6-yl sulphate

Formula:	C₁₇H₃₆O₄S.Na
Molecular Weight:	359.51
Synonyms:	6-Tridecanol,3,9-diethyl-, hydrogen sulfate, sodium salt (6CI,7CI,8CI,9CI);Sodium 4-ethyl-1-(3-ethylpentyl)-1-octylsulfate;Tergitol No. 7;4-Ethyl-1-(3-ethylpentyl)oktylsiran sodny;3,9-Diethyl-tridecyl-6-sulfate;Sodium 3,9-diethyltridecan-6-yl sulphate;Sodium 3,9-diethyltridecane-6-sulfonate;Tergitol 7;
EINECS:	221-925-8
PSA:	74.81000
LogP:	6.12560

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The Tergitol 7 with CAS registry number of 3282-85-7 is also known as 4-Ethyl-1-(3-ethylpentyl)oktylsiran sodny. The IUPAC name is Sodium 3,9-diethyltridecane-6-sulfonate. Its EINECS registry number is 221-925-8. In addition, the formula is C₁₇H₃₆O₄S.Na and the molecular weight is 359.51.

Physical properties about Tergitol 7 are: (1)#H bond acceptors: 4; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 14; (4)Polar Surface Area: 74.81Å²; (5)Rotatable Bond Count: 13; (6)Exact Mass: 342.22046; (7)MonoIsotopic Mass: 342.22046; (8)Topological Polar Surface Area: 65.6; (9)Heavy Atom Count: 22; (10)Complexity: 334; (11)Undefined Atom StereoCenter Count: 2; (12)Covalently-Bonded Unit Count: 2.

You can still convert the following datas into molecular structure:
(1)InChI=1S/C17H36O3S.Na/c1-5-9-10-16(8-4)12-14-17(21(18,19)20)13-11-15(6-2)7-3;/h15-17H,5-14H2,1-4H3,(H,18,19,20);/q;+1/p-1; (2)InChIKey=FDXRTOSOKYPFJT-UHFFFAOYSA-M;
(3)SmilesC([C@@H](CCC(CC)CC)S(=O)(=O)[O-])C[C@@H](CCCC)CC.[Na+]

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
guinea pig	LD50	oral	425mg/kg (425mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) KIDNEY, URETER, AND BLADDER: HEMATURIA GASTROINTESTINAL: OTHER CHANGES	Journal of Industrial Hygiene and Toxicology. Vol. 23, Pg. 478, 1941.
guinea pig	LDLo	skin	425mg/kg (425mg/kg)		Journal of Industrial Hygiene and Toxicology. Vol. 23, Pg. 478, 1941.
rabbit	LD50	skin	3560uL/kg (3.56mL/kg)		Union Carbide Data Sheet. Vol. 1/20/1972,
rat	LD50	oral	1430mg/kg (1430mg/kg)	KIDNEY, URETER, AND BLADDER: HEMATURIA GASTROINTESTINAL: OTHER CHANGES BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	Journal of Industrial Hygiene and Toxicology. Vol. 23, Pg. 478, 1941.