Product Name

  • Name

    Sodium 2-ethylhexyl sulfate

  • EINECS 204-812-8
  • CAS No. 126-92-1
  • Article Data1
  • CAS DataBase
  • Density 1.12 g/mL at 20 °C(lit.)
  • Solubility >=10 g/100 mL at 20 °C in water
  • Melting Point 148-149 °C
  • Formula C8H17NaO4S
  • Boiling Point
  • Molecular Weight 232.276
  • Flash Point
  • Transport Information
  • Appearance clear, colorless, slightly viscous liquid
  • Safety 26
  • Risk Codes 36/38
  • Molecular Structure Molecular Structure of 126-92-1 (Sodium 2-ethylhexyl sulfate)
  • Hazard Symbols IrritantXi
  • 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;
  • PSA 74.81000
  • LogP 2.76040

Synthetic route

2-Ethylhexyl alcohol
104-76-7

2-Ethylhexyl alcohol

sodium 2-ethylhexyl sulfate
126-92-1

sodium 2-ethylhexyl sulfate

Conditions
ConditionsYield
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;
cinnarizine hydrochloride
880764-36-3

cinnarizine hydrochloride

sodium 2-ethylhexyl sulfate
126-92-1

sodium 2-ethylhexyl sulfate

cinnarizine 2-ethyl-1-hexyl sulfate

cinnarizine 2-ethyl-1-hexyl sulfate

Conditions
ConditionsYield
In dichloromethane; water at 20℃;
lumefantrine hydrochloride

lumefantrine hydrochloride

sodium 2-ethylhexyl sulfate
126-92-1

sodium 2-ethylhexyl sulfate

lumefantrine 2-ethyl-1-hexylsulfate

lumefantrine 2-ethyl-1-hexylsulfate

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

Sodium 2-ethylhexyl sulfate Consensus Reports

Reported in EPA TSCA Inventory.

Sodium 2-ethylhexyl sulfate 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 SOx and 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.
 

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