3-methylbut-2-en-1-ol
fo-c47dcc69bd5870d0
Identity
- Type
- Neutral molecule
- CAS
- 556-82-1
- EC
- 209-141-4
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
14- 2-Buten-1-ol, 3-methyl-
- 2-Methyl-2-buten-4-ol
- 3,3-Dimethylallyl alcohol
- 3-Methyl-2-buten-1-ol
- 3-Methyl-2-butene-1-ol
- 3-Methyl-2-butenol
- 3-Methyl-2-butenyl alcohol
- 3-Methylcrotyl alcohol
- Dimethylallyl alcohol
- Isopent-2-en-1-ol
- Isopentenol
- Prenol
- Prenyl alcohol
- γ,γ-Dimethylallyl alcohol
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | ASUAYTHWZCLXAN-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C5H10O/c1-5(2)3-4-6/h3,6H,4H2,1-2H3 |
| IUPAC name chemrof:IUPAC_name | 3-methylbut-2-en-1-ol |
| Molecular formula chemrof:molecular_formula | C5H10O |
| Molecular mass chemrof:molecular_mass | 86.134 |
| Monoisotopic mass chemrof:monoisotopic_mass | 86.07316, 86.073165 |
| SMILES string chemrof:smiles_string | CC(C)=CCO |
Known URLs
20Where 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=556-82-1 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:16019 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.008.312 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1760 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID2027206 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=158709 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3184952 | enrich_references.pubchem_identifier_url |
| femaflavor.org | https://www.femaflavor.org/flavor-library/3-methyl-2-buten-1-ol | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/55MY0HM445 | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0030124 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J11.528B | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C01390 | enrich_references.chebi_xrefs |
| KEGG | https://www.genome.jp/entry/C17628 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C01390 | enrich_references.pubchem_identifier_url |
| lipidmaps.org | https://lipidmaps.org/databases/lmsd/LMFA05000106 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=3196 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/11173 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#1987 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q425512 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Prenol | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| b08c7b55-27bd-4441-b79f-fa198f1842bd | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 3b4ffdca-b518-40f5-8434-a4b885a975b1 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 9ceb19ed-985f-4309-825b-99733b034619 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 03d239f3-4a39-4e6c-8d7d-584eb12d2177 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| f9630e71-2b65-4bb0-b165-48a28aa17960 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 2f53463d-72a2-4ef8-b437-eec3d59e6fd4 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 4201b4f0-6829-4206-9e58-24f1d90d2daf | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 7741d20b-3247-4a3c-b189-3b21ae7424ce | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 3f794d91-9c2b-4e61-90dd-0cf0359d5f93 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 0d9cfd94-51cb-49ab-a5bd-f4e74479def4 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 043ae88c-b9cf-4842-8105-344f99f143b8 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| ba3f44c8-9b7f-4016-ba1f-45e8ec06cac6 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 8bb11b46-9787-49c9-bdb0-53e78fe5069e | 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