4-isopropylbenzenesulfonic Acid
fo-c82c2ebf53b901e7
Identity
- Type
- Neutral molecule
- CAS
- 16066-35-6
- EC
- 240-210-1
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
5- 4-(1-Methylethyl)benzenesulfonic acid
- 4-propan-2-ylbenzenesulonic acid
- Benzenesulfonic acid, 4-(1-methylethyl)-
- p-Cumenesulfonic acid
- p-Isopropylbenzenesulfonic acid
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | CVLHGLWXLDOELD-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C9H12O3S/c1-7(2)8-3-5-9(6-4-8)13(10,11)12/h3-7H,1-2H3,(H,10,11,12) |
| IUPAC name chemrof:IUPAC_name | 4-isopropylbenzenesulfonic Acid |
| Molecular formula chemrof:molecular_formula | C9H12O3S |
| Molecular mass chemrof:molecular_mass | 200.259 |
| Monoisotopic mass chemrof:monoisotopic_mass | 200.050715, 200.05072 |
| SMILES string chemrof:smiles_string | CC(C)c1ccc(S(=O)(=O)O)cc1 |
Known URLs
11Where 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 |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=16066-35-6 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:173469 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.036.539 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.044.633 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.048.829 | enrich_references.pubchem_identifier_url |
| ChemSpider | https://www.chemspider.com/Chemical-Structure.6388.html | enrich_references.chebi_xrefs |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID1044932 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/C99924DK5B | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J27.510G | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/6640 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27275349 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 02d145ea-de65-46ce-96e9-7a9fac80a513 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 55878d94-0622-4748-bef2-e25f412bb795 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 4e912bf3-3f4f-4da3-b534-d341da681a36 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 7b1dae25-dac7-4417-bfa8-8424a5c4235c | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| e13ac8b2-a438-4369-8da9-95dc5eee8f07 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 678d9586-a7a2-44af-9813-539e12355e4c | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 0ecacc8c-f288-473b-aa67-744e26deed6f | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 8f0cba6a-2bff-4926-97f1-c31449abdf59 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 55f92b2b-64f9-4192-9968-f424c1829434 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| ccbf43c6-1108-4dd0-abbb-e9a3cbfbf1e6 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 8b854e45-abee-482d-92ec-00c58777c0b5 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 96cfd0da-61b2-4bd6-bdb0-df8637e42fc0 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| db73254a-fcad-47df-97d5-2447603f5aaf | 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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}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