4-methylpent-3-en-2-one
fo-2b91c4ea5343e6e7
Identity
- Type
- Neutral molecule
- CAS
- 141-79-7
- EC
- 205-502-5
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
28- (CH3)2C=CHC(=O)CH3
- 1-Methylpent-2-en-4-one
- 2,2-Dimethylvinyl methyl ketone
- 2-Methyl-2-penten-4-one
- 2-Methyl-2-pentenone-4
- 2-Methyl-4-oxo-2-pentene
- 3-Isohexen-2-one
- 3-PENTEN,2-ONE,4-METHYL MESITYLOXIDE
- 3-Penten-2-one, 4-methyl-
- 4-Methyl-3-penten-2-on
- 4-Methyl-3-Penten-2-one
- 4-Methyl-3-penten-2-one (mesityl oxide)
- 4-Methyl-3-pentene-2-one
- 4-Metil-3-penten-2-one
- Isobutenyl methyl ketone
- Isopropylidene acetone
- Isopropylidene-Acetone
- Isopropylideneacetone
- Mesityl oxide
- Mesityl oxide [UN1229] [Flammable liquid]
- Mesityloxid
- Mesityloxid(german)
- Mesityloxyde
- Methyl 2,2-dimethylvinyl ketone
- Methyl 2-methyl-1-propenyl ketone
- Methyl isobutenyl ketone
- Ossido di mesitile
- Oxyde de mesityle
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | SHOJXDKTYKFBRD-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3 |
| IUPAC name chemrof:IUPAC_name | 4-methylpent-3-en-2-one |
| Molecular formula chemrof:molecular_formula | C6H10O |
| Molecular mass chemrof:molecular_mass | 98.145 |
| Monoisotopic mass chemrof:monoisotopic_mass | 98.07316, 98.073165 |
| SMILES string chemrof:smiles_string | CC(=O)C=C(C)C |
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=141-79-7 | enrich_references.chebi_xrefs |
| cdc.gov | https://www.cdc.gov/niosh-rtecs/SB401640.html | enrich_references.pubchem_identifier_url |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:89993 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.005.002 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0814 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID1029170 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=38717 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3185916 | enrich_references.pubchem_identifier_url |
| femaflavor.org | https://www.femaflavor.org/flavor-library/4-methyl-3-penten-2-one | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/77LAC84669 | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0031563 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.540B | enrich_references.pubchem_identifier_url |
| lipidmaps.org | https://lipidmaps.org/databases/lmsd/LMFA12000030 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=5436 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/8858 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#1229 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/17314143 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24657864 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q425668 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Mesityl_oxide | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 5ce3402a-f48f-4a4d-a760-82a08d70aa87 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| e052139c-566b-4fba-abf7-066383d425c6 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| c3648a39-2324-468d-918a-67d87f957994 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| e30e9e0e-1943-4293-a825-b43003977d58 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| a9bc2c70-ef75-477a-b571-70a865577396 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 0a4359fb-fd02-4215-9c0a-8c3771d2a965 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 182befa3-abcb-4ca4-92cc-bb3bac7b3f9d | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| b866c126-8a25-40f8-a93a-d9de7ab90724 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 3a2be47d-7750-4e94-9e7f-8438fcbc17e4 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 5022622a-80e9-4075-b2a9-e58579771390 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| e7654c99-0742-4c53-843a-4705dde59aaf | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 15d9b5ff-c171-4f2a-a9df-e9ccc5ad0716 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 1ef54934-83fa-474e-b26f-178518503c57 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (55 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-2b91c4ea5343e6e7",
"prefLabel": [
{
"@value": "4-methylpent-3-en-2-one",
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{
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{
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},
{
"@value": "2,2-Dimethylvinyl methyl ketone",
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{
"@value": "2-Methyl-2-penten-4-one",
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},
{
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},
{
"@value": "2-Methyl-4-oxo-2-pentene",
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},
{
"@value": "3-Isohexen-2-one",
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},
{
"@value": "3-PENTEN,2-ONE,4-METHYL MESITYLOXIDE",
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},
{
"@value": "3-Penten-2-one, 4-methyl-",
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},
{
"@value": "4-Methyl-3-penten-2-on",
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},
{
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}
},
{
"@value": "4-Methyl-3-penten-2-one (mesityl oxide)",
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},
{
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}
},
{
"@value": "4-Metil-3-penten-2-one",
"@language": "en",
"@lang": "en",
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}
},
{
"@value": "Isobutenyl methyl ketone",
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}
},
{
"@value": "Isopropylidene acetone",
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"@lang": "en",
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}
},
{
"@value": "Isopropylidene-Acetone",
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}
},
{
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},
{
"@value": "Mesityl oxide",
"@language": "en",
"@lang": "en",
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}
},
{
"@value": "Mesityl oxide [UN1229] [Flammable liquid]",
"@language": "en",
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},
{
"@value": "Mesityloxid",
"@language": "en",
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}
},
{
"@value": "Mesityloxid(german)",
"@language": "en",
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],
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}
},
{
"@value": "Mesityloxyde",
"@language": "en",
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}
},
{
"@value": "Methyl 2,2-dimethylvinyl ketone",
"@language": "en",
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],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "Methyl 2-methyl-1-propenyl ketone",
"@language": "en",
"@lang": "en",
"provenance": {
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}
},
{
"@value": "Methyl isobutenyl ketone",
"@language": "en",
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}
},
{
"@value": "Ossido di mesitile",
"@language": "en",
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}
},
{
"@value": "Oxyde de mesityle",
"@language": "en",
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}
],
"properties": {
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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