2-Pentyl p-toluenesulfonate

Modify Date: 2024-01-02 13:33:44

2-Pentyl p-toluenesulfonate Structure
2-Pentyl p-toluenesulfonate structure
 Common Name 2-Pentyl p-toluenesulfonate
CAS Number 3813-69-2 Molecular Weight 242.33500
Density 1.1g/cm3 Boiling Point 343.9ºC at 760 mmHg
Molecular Formula C12H18O3S Melting Point N/A
MSDS N/A Flash Point 161.8ºC

 Names

Name pentan-2-yl 4-methylbenzenesulfonate
Synonym More Synonyms

 Chemical & Physical Properties

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

 Toxicological Information

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

 Synthetic Route

2-Pentanol structure

2-Pentanol

CAS#:6032-29-7
Tosyl chloride structure

Tosyl chloride

CAS#:98-59-9

~91%

2-Pentyl p-toluenesulfonate Structure

2-Pentyl p-tolu...

CAS#: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 ;

 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
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