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3813-69-2

3813-69-2 structure
3813-69-2 structure
  • Name: 2-Pentyl p-toluenesulfonate
  • Chemical Name: pentan-2-yl 4-methylbenzenesulfonate
  • CAS Number: 3813-69-2
  • Molecular Formula: C12H18O3S
  • Molecular Weight: 242.33500
  • Create Date: 2017-02-16 04:42:27
  • Modify Date: 2024-01-02 13:33:44

Name pentan-2-yl 4-methylbenzenesulfonate
Synonyms toluene-4-sulfonic acid-(1-methyl-butyl ester)
Toluol-4-sulfonsaeure-(1-methyl-butylester)
2-Pentyl tosylate
2-<p-Toluolsulfonyloxy>-pentan
2-amyl tosylate
OSWR D1
2-Pentyl-<4-toluol>-sulfonat
2-pentanol tosylate
2-Pentanol,4-methylbenzenesulfonate
2-Pentanol,p-toluenesulfonate
2-Pentyl p-toluenesulfonate
p-Toluenesulfonic acid,2-pentyl ester
1-Methylbutyl tosylate
Density 1.1g/cm3
Boiling Point 343.9ºC at 760 mmHg
Molecular Formula C12H18O3S
Molecular Weight 242.33500
Flash Point 161.8ºC
Exact Mass 242.09800
PSA 51.75000
LogP 3.96970
Index of Refraction 1.502

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XT7200000
CHEMICAL NAME :
p-Toluenesulfonic acid, 2-pentyl ester
CAS REGISTRY NUMBER :
3813-69-2
BEILSTEIN REFERENCE NO. :
2417601
LAST UPDATED :
199707
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C12-H18-O3-S
MOLECULAR WEIGHT :
242.36
WISWESSER LINE NOTATION :
3Y1&OSWR D1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
178 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#00674

~91%

3813-69-2 structure

3813-69-2

Literature: THE JOHNS HOPKINS UNIVERSITY; LIU, Jun, O.; SHI, Wei; PASUNOOTI, Kalyan, Kumar Patent: WO2013/36866 A1, 2013 ; Location in patent: Paragraph 0252 ;