4-methylbenzenesulfonic Acid
7308fd33-d7b4-4879-aa8c-346e5a417f30
Identity
- Substance
- fo-ac93a0402feea609 Neutral molecule
- Source
- EF 3.1
- Unit
- kg
- Context
- Environmental → Water → Ocean
- CAS
- 104-15-4
- EC
- 203-180-0
Context
- Dimension
- Environmental
- Media
- Water
- Water body
- Ocean
Alternative labels
33- 4-toluenesulfonic acid
- PARA-TOLUENE SULFONATE
- Toluen-4-sulfonsaeure
- Toluene-4-sulfonate
- Tosylate
- p-methylbenzenesulfonic acid
- p-methylphenylsulfonic acid
- p-toluenesulfonic acid
- p-toluenesulphonic acid
- p-tolylsulfonic acid
- toluene-4-sulfonic acid
- tosic acid
- tosylic acid
- 1-Methyl-4-(sulfosulfonyl)benzene
- 4-Methyl-benzensulfonic acid
- 4-Methylbenzene-1-sulfonic acid
- Activator 100T3
- Aktivator 100 SR
- Benzenesulfonic acid, 4-methyl-
- Benzenesulfonic acid, 4-methyl-, conjugate acid (1:1)
- CAT-PS 80
- Cat 51-53
- K-Cure 1040
- MeSH ID: D014105
- Methylbenzenesulfonic acid
- Neocat C 4
- PTS-M 7000
- PTS-MT 70
- Taycacure AC 700
- Taycacure AC 707
- Toluenesulfonic acid
- TsOH
- p-Tsoh
Source lists
1| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| EF | 3.1 | 7308fd33-d7b4-4879-aa8c-346e5a417f30 | 4-methylbenzenesulfonic acid | The consensus list is built from this one, so this row is the flow itself rather than something matched to it. |
Concept associations
1| Source list | Source flow | Name there | Compartment there | Match | Conversion |
|---|---|---|---|---|---|
| EF 3.1 | 7308fd33-d7b4-4879-aa8c-346e5a417f30 | 4-methylbenzenesulfonic acid | Emissions/Emissions to water/Emissions to sea water | exactMatch | — |
Characterisation factors
8- consensus-flow-list 4
- European Commission — JRC 4
Every implementation that says anything about this flow. Published as is what this list did with the row: where more than one implementation states a number and they agree it publishes it as agreed; where only one speaks, as sole; where they disagree it publishes nothing and asks.
| Method | Implementation | Category | Place | Factor | Published as |
|---|---|---|---|---|---|
| EF 3.1 | European Commission — JRC | Ecotoxicity, freshwater | — | 1.7213e-08 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater | — | 1.7213e-08 | sole |
| EF 3.1 | European Commission — JRC | Ecotoxicity, freshwater_organics | — | 1.7213e-08 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater_organics | — | 1.7213e-08 | sole |
| EF 3.1 | European Commission — JRC | Human toxicity, non-cancer | — | 8.6208e-12 | — |
| EF 3.1 | consensus-flow-list | Human toxicity, non-cancer | — | 8.6208e-12 | sole |
| EF 3.1 | European Commission — JRC | Human toxicity, non-cancer_organics | — | 8.6208e-12 | — |
| EF 3.1 | consensus-flow-list | Human toxicity, non-cancer_organics | — | 8.6208e-12 | sole |
History
The change log and the PROV-O trail (2 consensus changes)
These are the heaviest sections of this page and the least often read, so the page does not pay for them until you ask.
Full record
Flow JSON
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