1-Octanesulfonic acid, thio-, S-hexadecyl ester (8CI)

Modify Date: 2024-04-02 13:35:27

1-Octanesulfonic acid, thio-, S-hexadecyl ester (8CI) structure	Common Name	1-Octanesulfonic acid, thio-, S-hexadecyl ester (8CI)
	CAS Number	7559-51-5	Molecular Weight	434.78300
	Density	0.945g/cm3	Boiling Point	543.3ºC at 760 mmHg
	Molecular Formula	C₂₄H₅₀O₂S₂	Melting Point	N/A
	MSDS	N/A	Flash Point	282.4ºC

Name	1-octylsulfonylsulfanylhexadecane
Synonym	More Synonyms

Density	0.945g/cm3
Boiling Point	543.3ºC at 760 mmHg
Molecular Formula	C₂₄H₅₀O₂S₂
Molecular Weight	434.78300
Flash Point	282.4ºC
Exact Mass	434.32500
PSA	67.82000
LogP	9.97200
Index of Refraction	1.477
InChIKey	KHMGNPHNXZGWBT-UHFFFAOYSA-N
SMILES	CCCCCCCCCCCCCCCCSS(=O)(=O)CCCCCCCC

CHEMICAL IDENTIFICATION

RTECS NUMBER :: RG9702000

CHEMICAL NAME :: Octanesulfonic acid, thio-, S-hexadecyl ester

CAS REGISTRY NUMBER :: 7559-51-5

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C24-H50-O2-S2

MOLECULAR WEIGHT :: 434.86

WISWESSER LINE NOTATION :: WS8&S16

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 :: 56 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#04610

OCTANESULFONIC ACID,THIO-,S-HEXADECYL ESTER

Hexadecyl-octylthiolsulfonat

S-Hexadecyl octanethiosulfonate

S-hexadecyl octane-1-sulfonothioate

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