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CAS No.: | 126-92-1 |
---|---|
Name: | Sodium 2-ethylhexyl sulfate |
Article Data: | 1 |
Molecular Structure: | |
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 |
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; |
cinnarizine hydrochloride
sodium 2-ethylhexyl sulfate
Conditions | Yield |
---|---|
In dichloromethane; water at 20℃; |
Conditions | Yield |
---|---|
In dichloromethane; water at 20℃; Darkness; |
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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. |