Molecule structure of Monododecyl ester sulfuric acid (CAS NO.151-41-7) :
IUPAC Name: dodecyl hydrogen sulfate
Molecular Weight: 266.39744 g/mol
Molecular Formula: C12H26O4S
Density: 1.059 g/cm3
Index of Refraction: 1.466
Molar Refractivity: 69.7 cm3
Molar Volume: 251.5 cm3
Polarizability: 27.63*10-24 cm3
Surface Tension: 39.1 dyne/cm
XLogP3-AA: 4.7
H-Bond Donor: 1
H-Bond Acceptor: 4
Rotatable Bond Count: 12
Exact Mass: 266.15518
MonoIsotopic Mass: 266.15518
Topological Polar Surface Area: 63.6
Heavy Atom Count: 17
Complexity: 244
Canonical SMILES: CCCCCCCCCCCCOS(=O)(=O)O
InChI: InChI=1S/C12H26O4S/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h2-12H2,1H3,(H,13,14,15)
InChIKey: MOTZDAYCYVMXPC-UHFFFAOYSA-N
EINECS of Monododecyl ester sulfuric acid (CAS NO.151-41-7) : 205-791-8
1. | orl-rat LD50:1300 mg/kg | JSCCA5 Journal of the Society of Cosmetic Chemists. 13 (1962),469. |
Reported in EPA TSCA Inventory.
Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of SOx. See also SULFATES and ESTERS.
Monododecyl ester sulfuric acid (CAS NO.151-41-7) is also called 3-01-00-02186 (Beilstein Handbook Reference) ; BRN 1710530 ; Dodecansulfonic acid, hydroxy- ; Dodecyl hydrogen sulfate ; Dodecyl sulfate ; Dodecylsulfuric acid ; HSDB 936 ; Lauryl sulfate ; Lauryl sulfuric acid ; Lauryl sulphate ; Monododecyl hydrogen sulfate ; N-Dodecyl sulfate ; Sulfuric acid, monododecyl ester ; Dodecyl hydrogen sulphate ; Sulfuric acid, monododecyl ester .
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