Propyl benzenesulfonate

Modify Date: 2026-08-02 10:40:38

Propyl benzenesulfonate Structure
Propyl benzenesulfonate structure
Common Name Propyl benzenesulfonate
CAS Number 80-42-2 Molecular Weight 200.25500
Density 1.173g/cm3 Boiling Point 298.8ºC at 760 mmHg
Molecular Formula C9H12O3S Melting Point N/A
MSDS N/A Flash Point 134.5ºC

 Names

Name Propyl benzenesulfonate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.173g/cm3
Boiling Point 298.8ºC at 760 mmHg
Molecular Formula C9H12O3S
Molecular Weight 200.25500
Flash Point 134.5ºC
Exact Mass 200.05100
PSA 51.75000
LogP 2.88270
Index of Refraction 1.512
InChIKey OCNPXKLQSGAGKT-UHFFFAOYSA-N
SMILES CCCOS(=O)(=O)c1ccccc1

 Synthetic Route

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Propyl benzenesulfonate Structure

Propyl benzenes...

CAS#:80-42-2

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Literature: Krafft; Roos Chemische Berichte, 1892 , vol. 25, p. 2261 Chemische Berichte, 1893 , vol. 26, p. 2825

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Propyl benzenesulfonate Structure

Propyl benzenes...

CAS#:80-42-2

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Literature: Huebner Justus Liebigs Annalen der Chemie, 1884 , vol. 223, p. 244

 Propyl benzenesulfonateBioassay

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Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
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 Synonyms

Propyl-benzolsulfonat
Benzolsulfonsaeurepropylester
Benzenesulfonic Acid Propyl Ester
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