4-methylbenzenesulfonic Acid
fo-ac93a0402feea609
Identity
- Type
- Neutral molecule
- CAS
- 104-15-4
- EC
- 203-180-0
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
33- 1-Methyl-4-(sulfosulfonyl)benzene
- 4-Methyl-benzensulfonic acid
- 4-Methylbenzene-1-sulfonic acid
- 4-toluenesulfonic acid
- Activator 100T3
- Aktivator 100 SR
- Benzenesulfonic acid, 4-methyl-
- Benzenesulfonic acid, 4-methyl-, conjugate acid (1:1)
- Cat 51-53
- CAT-PS 80
- K-Cure 1040
- MeSH ID: D014105
- Methylbenzenesulfonic acid
- Neocat C 4
- p-methylbenzenesulfonic acid
- p-methylphenylsulfonic acid
- p-toluenesulfonic acid
- p-toluenesulphonic acid
- p-tolylsulfonic acid
- p-Tsoh
- PARA-TOLUENE SULFONATE
- PTS-M 7000
- PTS-MT 70
- Taycacure AC 700
- Taycacure AC 707
- Toluen-4-sulfonsaeure
- Toluene-4-sulfonate
- toluene-4-sulfonic acid
- Toluenesulfonic acid
- tosic acid
- Tosylate
- tosylic acid
- TsOH
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | JOXIMZWYDAKGHI-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10) |
| IUPAC name chemrof:IUPAC_name | 4-methylbenzenesulfonic Acid |
| Molecular formula chemrof:molecular_formula | C7H8O3S |
| Molecular mass chemrof:molecular_mass | 172.205 |
| Monoisotopic mass chemrof:monoisotopic_mass | 172.019415, 172.01942 |
| SMILES string chemrof:smiles_string | Cc1ccc(S(=O)(=O)O)cc1 |
Known URLs
27Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| beilstein | beilstein:472690 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=104-15-4 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=25231-46-3 | enrich_references.pubchem_identifier_url |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:27849 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.002.891 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0773 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID0026701 | enrich_references.pubchem_identifier_url |
| DrugBank | https://go.drugbank.com/drugs/DB03120 | enrich_references.chebi_xrefs |
| drugbank.ca | https://www.drugbank.ca/drugs/DB03120 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=167068 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=2167 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL541253 | enrich_references.pubchem_identifier_url |
| gmelin | gmelin:3279 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/QGV5ZG5741 | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0059933 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.025C | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C06677 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C06677 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=51481 | enrich_references.pubchem_identifier_url |
| pdb-ccd | pdb-ccd:TSU | enrich_references.chebi_xrefs |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL541253 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/6101 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#2584 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#2585 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=018299 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q285878 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/P-Toluenesulfonic_acid | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| b83e3d9c-bb1e-4050-bc5f-059e14fad6a2 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 08e4055a-b43c-4899-a3a8-eba332b8379f | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| d4c94757-97ce-42c3-9dd5-64b7be5e0799 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 188ac6bb-cbe8-4729-a8d1-66449406ef2a | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| aff0452f-2d37-4eff-97be-4675c2b76d01 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| e33b2b01-ed47-4840-9a48-df1cb67c8c20 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| c0b6ef91-db5a-4cd0-96f7-8fc055c790fd | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| bf0e9d8d-a241-4de3-bcf4-98b173a6c7bc | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| a14cfa88-b8cb-4d4d-b83e-9a6f5eb681ca | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| f586de50-93a1-4832-9f5d-cb90f9b21e73 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 7308fd33-d7b4-4879-aa8c-346e5a417f30 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 182efbaf-edae-4ff7-8d66-7905e6a6cd43 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 30550ad1-a9a6-4307-8d7c-974bd0fb262c | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (56 changes)
Full record
Flow object JSON
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{
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{
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{
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},
{
"@value": "tosic acid",
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{
"@value": "Tosylate",
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},
{
"@value": "tosylic acid",
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},
{
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}Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works