CAS No.126-92-1,Sodium 2-ethylhexyl sulfate Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	126-92-1
Name:	Sodium 2-ethylhexyl sulfate
Article Data:	1

Formula:	C₈H₁₇NaO₄S
Molecular Weight:	232.276
Synonyms:	1-Hexanol,2-ethyl-, hydrogen sulfate, sodium salt (6CI,7CI);2-Ethyl-1-hexanol sulfate sodium salt;2-Ethylhexyl sulfate sodium salt;Carsonol SHS;Ethasulfate sodium;Lutensit TC-EHS;NAS 08;NSC 4744;Niaproof 08;Pentrone ON;Pionin A 20;Rhodapon BOS;Sinolin SO 35;Sintrex EHR;Sodium ethasulfate;Sodium octyl sulfate;Sole Tege TS 25;Stepanol EHS;Sulfotex CA;Sulfotex OA;Tergemist;Tergitol 08;Texapon 890;
EINECS:	204-812-8
Density:	1.12 g/mL at 20 °C(lit.)
Melting Point:	148-149 °C
Solubility:	>=10 g/100 mL at 20 °C in water
Appearance:	clear, colorless, slightly viscous liquid
Hazard Symbols:	Xi
Risk Codes:	36/38
Safety:	26
PSA:	74.81000
LogP:	2.76040

Synthetic route

: 104-76-7
2-Ethylhexyl alcohol

: 126-92-1
sodium 2-ethylhexyl sulfate

Conditions

Conditions	Yield
Stage #1: 2-Ethylhexyl alcohol With pyridine; aminosulfonic acid at 95℃; for 16h; Microwave irradiation; Stage #2: With sodium carbonate In methanol; water at 20℃; for 0.5h; Stage #3: With sodium sulfate In methanol; water at 20℃; for 0.333333h;

: 880764-36-3
cinnarizine hydrochloride

: 126-92-1
sodium 2-ethylhexyl sulfate

: cinnarizine 2-ethyl-1-hexyl sulfate

Conditions

Conditions	Yield
In dichloromethane; water at 20℃;

: lumefantrine hydrochloride

: 126-92-1
sodium 2-ethylhexyl sulfate

: lumefantrine 2-ethyl-1-hexylsulfate

Conditions

Conditions	Yield
In dichloromethane; water at 20℃; Darkness;

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The IUPAC name of Tergitol 08 is sodium 2-ethylhexyl sulfate. With the CAS registry number 126-92-1, it is also named as Sulfuric acid, mono(2-ethylhexyl) ester, sodium salt; 1-Hexanol, 2-ethyl-, hydrogen sulfate, sodium salt. The product's categorie is inorganic & organic chemicals. It is clear, colorless, slightly viscous liquid which is soluble in water and is probably nonflammable. In addition, it is stable and incompatible with strong oxidizing agents. When heated to decomposition it emits very toxic fumes of SO_xand Na₂O. Tergitol 08 is used as low-foam wetting agent which is suitable for air agitation. And it is also used for the preparation of nickel brightener.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.41; (4)ACD/LogD (pH 7.4): -0.41; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Rotatable Bond Count: 7; (13)Exact Mass: 232.074524; (14)MonoIsotopic Mass: 232.074524; (15)Topological Polar Surface Area: 74.8; (16)Heavy Atom Count: 14; (17)Complexity: 210; (18)Undefined Atom StereoCenter Count: 1; (19)Covalently-Bonded Unit Count: 2.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
1. SMILES: [Na+].O=S([O-])(=O)OCC(CCCC)CC;
2. InChI: InChI=1/C8H18O4S.Na/c1-3-5-6-8(4-2)7-12-13(9,10)11;/h8H,3-7H2,1-2H3,(H,9,10,11);/q;+1/p-1.

The following are the toxicity data which has been tested.

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
guinea pig	LD50	oral	650mg/kg (650mg/kg)		"Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 1081, 1986.
guinea pig	LDLo	skin	1520mg/kg (1520mg/kg)		Journal of Industrial Hygiene and Toxicology. Vol. 23, Pg. 478, 1941.
mouse	LD50	oral	1550mg/kg (1550mg/kg)		Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 43(7), Pg. 70, 1978.
rabbit	LD50	oral	3580mg/kg (3580mg/kg)	GASTROINTESTINAL: OTHER CHANGES BLOOD: OTHER HEMOLYSIS WITH OR WITHOUT ANEMIA	Toxicology and Applied Pharmacology. Vol. 17, Pg. 53, 1970.
rabbit	LD50	skin	6540uL/kg (6.54mL/kg)		Union Carbide Data Sheet. Vol. 1/20/1972,
rat	LC	inhalation	> 30mg/m³/8H (30mg/m³)		Union Carbide Data Sheet. Vol. 1/20/1972,
rat	LD50	intraperitoneal	320mg/kg (320mg/kg)	GASTROINTESTINAL: OTHER CHANGES BLOOD: OTHER HEMOLYSIS WITH OR WITHOUT ANEMIA	Toxicology and Applied Pharmacology. Vol. 17, Pg. 53, 1970.
rat	LD50	oral	4gm/kg (4000mg/kg)		Farm Chemicals Handbook. Vol. -, Pg. C276, 1991.
rat	LD50	subcutaneous	4730mg/kg (4730mg/kg)	GASTROINTESTINAL: OTHER CHANGES BLOOD: OTHER HEMOLYSIS WITH OR WITHOUT ANEMIA	Toxicology and Applied Pharmacology. Vol. 17, Pg. 53, 1970.