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Home> Encyclopedia > Hot Product Listed 6   > 6-Tridecanol,3,9-diethyl-, 6-(hydrogen sulfate), sodium salt (1:1)
500542-20-1 structure

6-Tridecanol,3,9-diethyl-, 6-(hydrogen sulfate), sodium salt (1:1)

Iupac Name:2-(1,3-dimethyl-2,6-dioxopurin-9-yl)acetic acid
CAS No.:500542-20-1
Molecular Weight:238.203
Molecular Formula:C9H8N4O2 (isomer)
Names and Identifiers
Synonyms

6-Tridecanol,3,9-diethyl-, hydrogen sulfate, sodium salt (6CI,7CI,8CI,9CI) acm3282857 DTXSID1041552 mfcd00043220 Sodium 4-ethyl-1-(3-ethylpentyl)-1-octylsulfate Tergitol 7 Tergitol No. 7

Inchi
InChI=1S/C9H10N4O4/c1-11-7-6(8(16)12(2)9(11)17)10-4-13(7)3-5(14)15/h4H,3H2,1-2H3,(H,14,15)
InChkey
BGEGJDQJVUMDLU-UHFFFAOYSA-N
Canonical Smiles
CN1C2=C(C(=O)N(C1=O)C)N=CN2CC(=O)O
Properties
Density
0.822
Boiling Point
482.9 °C at 760 mmHg
Flash Point
°C
Safety and Handling
Safety

The safety information of Tergitol 7 (CAS NO.3282-85-7):
Moderately toxic by ingestion and skin contact. A skin and eye irritant. See also SULFATES. When heated to decomposition it emits toxic fumes of SOx and Na2O.

Toxicity

The toxicity of Tergitol 7 (CAS NO.3282-85-7):

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 425mg/kg (425mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

GASTROINTESTINAL: OTHER CHANGES

KIDNEY, URETER, AND BLADDER: HEMATURIA
Journal of Industrial Hygiene and Toxicology. Vol. 23, Pg. 478, 1941.
guinea pig LDLo skin 425mg/kg (425mg/kg)   Journal of Industrial Hygiene and Toxicology. Vol. 23, Pg. 478, 1941.
rabbit LD50 skin 3560uL/kg (3.56mL/kg)   Union Carbide Data Sheet. Vol. 1/20/1972,
rat LD50 oral 1430mg/kg (1430mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

GASTROINTESTINAL: OTHER CHANGES

KIDNEY, URETER, AND BLADDER: HEMATURIA
Journal of Industrial Hygiene and Toxicology. Vol. 23, Pg. 478, 1941.

Report

Reported in EPA TSCA Inventory.

Computational chemical data
  • Molecular Weight:238.203g/mol
  • Molecular Formula:C9H8N4O2
  • Compound Is Canonicalized:True
  • Exact Mass:238.07
  • Monoisotopic Mass:238.07
  • Complexity:385
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:5
  • Heavy Atom Count:17
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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