Shanghai Nianxing Industrial Co., Ltd
China
Product Name: Palmitic acid
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Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 2-Pentyl p-toluenesulfonate
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
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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: 2026-07-27 09:36:05

Name	pentan-2-yl 4-methylbenzenesulfonate
Synonyms	toluene-4-sulfonic acid-(1-methyl-butyl ester) 2-Pentyl-<4-toluol>-sulfonat Benzenesulfonic acid, 4-Methyl-, 1-Methylbutyl ester 2-Pentanol, 2-(4-methylbenzenesulfonate) 2-<p-Toluolsulfonyloxy>-pentan Toluol-4-sulfonsaeure-(1-methyl-butylester) 1-Methylbutyl tosylate OSWR D1 p-Toluenesulfonic acid 1-methylbutyl ester p-Toluenesulfonic acid,2-pentyl ester 2-pentanol tosylate pentan-2-yl 4-methylbenzene-1-sulfonate 2-Pentanol,p-toluenesulfonate 2-Pentanol,4-methylbenzenesulfonate 2-amyl tosylate 2-Pentyl tosylate 4-Methylbenzenesulfonic acid 1-methylbutyl ester

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

6032-29-7 structure

6032-29-7

98-59-9 structure

98-59-9

~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 ;

Precursor 2
6032-29-7 98-59-9
DownStream 9
109-67-1 637-97-8 646-04-8 627-20-3
13286-91-4 101944-72-3 107-81-3 2216-34-4
6795-88-6

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