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.
? |
|
Report: |
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.
? |
|