2-sec-butylphenol
fo-3357c0d75d7c255f
Identity
- Type
- Neutral molecule
- CAS
- 89-72-5
- EC
- 201-933-8
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
8- (±)-2-sec-Butylphenol
- 2-(1-Methylpropyl)phenol
- 2-(2-Butyl)phenol
- 2-(butan-2-yl)phenol
- 2-Butan-2-ylphenol
- o-sec-Butylphenol
- Phenol, 2-(1-methylpropyl)-
- Phenol, o-sec-butyl-
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | NGFPWHGISWUQOI-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C10H14O/c1-3-8(2)9-6-4-5-7-10(9)11/h4-8,11H,3H2,1-2H3 |
| IUPAC name chemrof:IUPAC_name | 2-sec-butylphenol |
| Molecular formula chemrof:molecular_formula | C10H14O |
| Molecular mass chemrof:molecular_mass | 150.221 |
| Monoisotopic mass chemrof:monoisotopic_mass | 150.104465, 150.10447 |
| SMILES string chemrof:smiles_string | CCC(C)c1ccccc1O |
Known URLs
22Where 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=53466-96-9 | enrich_references.pubchem_identifier_url |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=89-72-5 | enrich_references.chebi_xrefs |
| cdc.gov | https://www.cdc.gov/niosh-rtecs/SJ881BC0.html | enrich_references.pubchem_identifier_url |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34303 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.001.758 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1472 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID2022331 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL30193 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/025P24OTM5 | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0245315 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.214J | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C14138 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C14138 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=54960 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/6984 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#3145 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/19705287 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/22858690 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24197220 | enrich_references.chebi_xrefs |
| reaxys | reaxys:1210026 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q20156241 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/O-sec-Butylphenol | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| ca96f172-22cd-45eb-a00e-21b56dcda395 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| ba9c2701-2f3c-4d6a-9604-612eb71e66da | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 88c7ec54-1447-4757-927c-9bbcae1141be | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 33fefa64-06d8-4d63-9e51-0df9b9e6bea3 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| efc3b61f-7ce2-4b98-935f-8d481400d066 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| fc21d252-928a-4182-bd33-bb41624453d8 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| f8265884-2677-4292-bad1-54054a2478d7 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 7811827a-e5b8-49e4-bb16-d5dd0f2286eb | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 1e599b6d-c343-4df5-af47-2ab694fa4ece | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| aacba1f2-ea19-4a1c-8117-ae2af564540a | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 68bc5c56-ee82-41b9-a32c-3fbac4fdc308 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| ba33e262-ec55-4779-a8d1-74c8ef549fe0 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 564da8a1-dbd0-4254-ad7b-ef7611e2fdbe | 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