p-Toluenesulfonic acid, thio-, S-octyl ester

Modify Date: 2024-01-09 08:53:13

p-Toluenesulfonic acid, thio-, S-octyl ester structure	Common Name	p-Toluenesulfonic acid, thio-, S-octyl ester
	CAS Number	7559-53-7	Molecular Weight	300.48000
	Density	1.084g/cm3	Boiling Point	418.8ºC at 760 mmHg
	Molecular Formula	C₁₅H₂₄O₂S₂	Melting Point	N/A
	MSDS	N/A	Flash Point	207.1ºC

Name	S-Octyl p-toluenethiosulfonate
Synonym	More Synonyms

Density	1.084g/cm3
Boiling Point	418.8ºC at 760 mmHg
Molecular Formula	C₁₅H₂₄O₂S₂
Molecular Weight	300.48000
Flash Point	207.1ºC
Exact Mass	300.12200
PSA	67.82000
LogP	5.85820
Index of Refraction	1.527
InChIKey	UMHCNSKVYCPQDB-UHFFFAOYSA-N
SMILES	CCCCCCCCSS(=O)(=O)c1ccc(C)cc1

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XT7355000

CHEMICAL NAME :: p-Toluenesulfonic acid, thio-, S-octyl ester

CAS REGISTRY NUMBER :: 7559-53-7

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C15-H24-O2-S2

MOLECULAR WEIGHT :: 300.51

WISWESSER LINE NOTATION :: 8SSWR 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 :: 18 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#04599

1-Bromooctane

CAS#:111-83-1

p-toluenethiosu...

CAS#:28519-50-8

p-Toluenesulfon...

CAS#:7559-53-7

Literature: Weidner,J.P.; Block,S.S. J. Med. Chem., 1964 , vol. 7, p. 671 - 673

Precursor 2
CAS#:111-83-1 1-Bromooctane CAS#:28519-50-8 p-toluenethiosu...
DownStream 0

n-Octyl-p-toluolthiolsulfonat

4-Methylbenzene-1-thiosulfonic acid S-octyl ester

4-Methylbenzenesulfonothioic acid S-octyl ester

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Product Name: p-Toluenesulfonic acid, thio-, S-octyl ester
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Purity: 98.0%
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p-Toluenesulfonic acid, thio-, S-octyl ester

Names

Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Synthetic Route

Precursor & DownStream

Synonyms

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.