Grundinformationen
- Standard-SMILES
CCc1ccc(S(=O)(=O)O)cc1- InChIKey
BRIXOPDYGQCZFO-UHFFFAOYSA-N- Summenformel
- C8H10O3S
- Durchschnittliche Molmasse
- 186,23 g/mol
- Monoisotopische Masse
- 186,03506535
Namen und Bezeichner
- Bevorzugter Name
- 4-Ethylbenzenesulfonic acid
- IUPAC
- 4-ethylbenzenesulfonic acid
- Lokaler Name
- p-Ethylbenzolsulfonsure
- Englischer Name
- 4-Ethylbenzenesulfonic acid
- Summenformel
- C8H10O3S
- Molmasse
- 186.23
Namen und Synonyme
4-ETHYLBENZENESULFONIC ACID98-69-1p-Ethylbenzenesulfonic acidBenzenesulfonic acid, 4-ethyl-Phenylethane-p-sulfonateBenzenesulfonic acid, p-ethyl-DTXSID4046571XIG6VCJ1KCp-Ethylbenzenesulphonic acidBenzenesulfonic acid, ethyl-ETHYLBENZENESULFONIC ACIDHSDB 5320
Weitere Namen anzeigen
p-ethyl-benzenesulfonicaci4-ethyl-benzenesulfonicaci4-ETHYLBENZENESULFONIC ACID TECH 95%4-ETHYLBENZENESULFONIC ACID, TECH., 95%4-Ethylbenzenesulfonic acid technical grade, 95%
EINECS 202-693-7DTXCID2026571EINECS 260-690-6PhenylethanepsulfonatepEthylbenzenesulfonic acidRefChem:522849Benzenesulfonic acid, pethylBenzenesulfonic acid, 4ethyl
Datenbank-Bezeichner
- CAS
57352-34-8、98-69-1- PubChem CID
- 7402
- DTXSID
DTXSID4046571- ChEMBL
CHEMBL3188767- ChEBI
CHEBI:176767- UNII
- XIG6VCJ1KC
- EC Number
- 202-693-7
- Nikkaji
- J27.506I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,5
- Polarare Oberfläche (TPSA)
- 62,8 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 219
Experimentelle und physikochemische Eigenschaften
Physical DescriptionLiquid
Physikochemische Eigenschaften
- Dichte
- 1.229 g/mL · 1.229 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.5331(lit.)
- Flammpunkt
- 230 °F · >230 °F
- pka
- -0.45 · -0.45±0.50(Predicted)
- Stabilität
- Combustible. Incompatible with strong oxidizing agents, strong bases.
- InChI
- InChI=1S/C8H10O3S/c1-2-7-3-5-8(6-4-7)12(9,10)11/h3-6H,2H2,1H3,(H,9,10,11)
- InChIKey
- BRIXOPDYGQCZFO-UHFFFAOYSA-N
- SMILES
- C1(S(O)(=O)=O)=CC=C(CC)C=C1
- CAS Datenbank
- 98 · 98-69-1(CAS DataBase Reference)
- EPA chemische Informationen
- 4 · Benzenesulfonic acid, 4-ethyl- (98-69-1)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Regulatory Information
Chemical: Benzenesulfonic acid, 4-ethyl-
Benzenesulfonic acid, ethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenesulfonic acid, ethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Benzenesulfonic acid, ethyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazards SummaryA corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause chemical pneumonitis; [MSDSonline]
Hazard Classes and CategoriesSkin Corr. 1B (100%)；Eye Dam. 1 (100%)
Sicherheit und Schutzausrüstung
Disposal Methods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
Toxikologische Informationen
Adverse EffectsDermatotoxin - Skin burns.；Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.
Regulatorische Informationen
Regulatory Information
Chemical: Benzenesulfonic acid, 4-ethyl-
Benzenesulfonic acid, ethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenesulfonic acid, ethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Benzenesulfonic acid, ethyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2586 8/PG 3
- risk_code
- 34
- hazard_code
- C
- safety_code
- 26-27-28-36/37/39-45
- hazard_class
- 8
- packing_group
- III
- Speicherklasse
- 8A - Combustible corrosive hazardous materials
- Giftige Stoffe Daten
- 98-69-1(Hazardous Substances Data)
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1B
Chemie und Industrie
Verwendung und Herstellung
Uses
Used in wastewater treatment; [HSDB]
Sewer and Wastewater Treatment [Category: Industry]
IN WASTEWATER TREATMENT
U.S. Production2023: 114,326 lb；2022: 110,375 lb；2021: 119,532 lb；2020: 60,128 lb
Consumer UsesCatalyst；Surfactant (surface active agent)
Industry UsesSurfactant (surface active agent)；Catalyst
Methods of ManufacturingSulfonation of ethylbenzene with sulfuric acid
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing；Plastics Material and Resin Manufacturing
Benzenesulfonic acid, 4-ethyl-: ACTIVE
Benzenesulfonic acid, ethyl-: ACTIVE
Anwendungen
Verwenden4-Ethylbenzenesulfonic acid was used to dope high conducting polypyrrole thin films.
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