2-methylvaleraldehyde

(±)-2-Methylpentanal
2-Formylpentane
2-Methyl-N-valeraldehyde
2-Methyl-Pentanal
2-Methyl-Valeraldehyde
2-Methylpental
2-Methylpentaldehyde
2-methylpentanal
2-Methylvaleric aldehyde
alpha -methyl valeraldehyde
alpha -methylpentenal
alpha-Methylpentanal
alpha-Methylpentenal
alpha-Methylvaleraldehyde [UN2367] [Flammable liquid]
Methyl-Pentanal
Methylpentaldehyde
N-C3H7CH(CH3)CHO
Pentanal, 2-methyl-
Valeraldehyde, 2-methyl-
Valeraldehyde, 2-methyl- (8CI)
α-Methylpentanal
α-Methylvaleraldehyde

Property	Value
Elemental charge chemrof:elemental_charge	0
InChI2D key string chemrof:inchi2d_key_string	FTZILAQGHINQQR-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C6H12O/c1-3-4-6(2)5-7/h5-6H,3-4H2,1-2H3
IUPAC name chemrof:IUPAC_name	2-methylvaleraldehyde
Molecular formula chemrof:molecular_formula	C6H12O
Molecular mass chemrof:molecular_mass	100.161
Monoisotopic mass chemrof:monoisotopic_mass	100.088815, 100.08882
SMILES string chemrof:smiles_string	CCCC(C)C=O

Where 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=123-15-9	enrich_references.chebi_xrefs
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=73513-30-1	enrich_references.pubchem_identifier_url
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:89986	enrich_references.chebi_id_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.004.188	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID9021978	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=49351	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2270061	enrich_references.pubchem_identifier_url
femaflavor.org	https://www.femaflavor.org/flavor-library/2-methylpentanal	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/64L45T2504	enrich_references.pubchem_identifier_url
HMDB	https://hmdb.ca/metabolites/HMDB0031578	enrich_references.chebi_xrefs
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J59.528D	enrich_references.pubchem_identifier_url
metabolomicsworkbench.org	https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=44967	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/31245	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/erg/#2367	enrich_references.pubchem_identifier_url
PubMed	https://pubmed.ncbi.nlm.nih.gov/10691650	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/12236693	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/16594682	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/19013440	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/21506186	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/21960209	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/24421258	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/8645003	enrich_references.chebi_xrefs
wikidata.org	https://www.wikidata.org/wiki/Q27162196	enrich_references.pubchem_identifier_url
Wikipedia	https://en.wikipedia.org/wiki/2-Methylpentanal	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
94dfd884-cb7c-49a6-b046-7debb9760f27	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
af8dc644-0ee3-4cb6-a797-34c17df6551d	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
61936722-4f6c-46eb-ae08-6e8d90549b11	Environmental → Air → Indoor	EF 3.1	kg	2
3fee5196-febf-4883-9abb-258691d81253	Environmental → Air → Long-term	EF 3.1	kg	0
9c78d387-5c4b-4fcb-b03c-004cc2eb3b37	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
0edf3633-349b-4b62-b9b6-4efc6b882d0b	Environmental → Air → Unknown	EF 3.1	kg	2
7eed1600-802c-48e5-89cb-b2543d0a2483	Environmental → Ground → Agricultural	EF 3.1	kg	2
f3fac02f-ea6f-4e24-a17a-56233d9206b7	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
60fb7a26-94d3-4cc5-a540-dc435366a81b	Environmental → Ground → Unknown	EF 3.1	kg	2
5f9c5a62-bd64-451b-ba88-fd9a9749b55e	Environmental → Water → Long-term	EF 3.1	kg	0
8dae20e2-d6e3-4fa3-b9a3-5048e0d9dc99	Environmental → Water → Ocean	EF 3.1	kg	2
bee04387-4267-472c-98de-c84a4385a73f	Environmental → Water → Surface water	EF 3.1	kg	2
f7b14ce8-0d90-453b-9426-ff2400265119	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (56 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-9914fdfb5b029feb",
  "prefLabel": [
    {
      "@value": "2-methylvaleraldehyde",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(±)-2-Methylpentanal",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:123-15-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=123-15-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Formylpentane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_89986"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2-Methyl-N-valeraldehyde",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_89986"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2-Methyl-Pentanal",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_89986"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2-Methyl-Valeraldehyde",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_89986"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2-Methylpental",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "http://purl.obolibrary.org/obo/CHEBI_89986"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2-Methylpentaldehyde",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_89986"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2-methylpentanal",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "http://purl.obolibrary.org/obo/CHEBI_89986"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2-Methylvaleric aldehyde",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_89986"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "alpha -methyl valeraldehyde",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_89986"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "alpha -methylpentenal",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "http://purl.obolibrary.org/obo/CHEBI_89986"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "alpha-Methylpentanal",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "alpha-Methylpentenal",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "alpha-Methylvaleraldehyde [UN2367] [Flammable liquid]",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Methyl-Pentanal",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Methylpentaldehyde",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "N-C3H7CH(CH3)CHO",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Pentanal, 2-methyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=123-15-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Valeraldehyde, 2-methyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Valeraldehyde, 2-methyl- (8CI)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "α-Methylpentanal",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "α-Methylvaleraldehyde",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C6H12O"
      ],
      "attested_by": {
        "C6H12O": [
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        },
        {
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          "prov:hadPrimarySource": [
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      "attested_by": {
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    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
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      ],
      "attested_by": {
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    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
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      "@value": [
        "FTZILAQGHINQQR-UHFFFAOYSA-N"
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      ]
    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "@value": [
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      "attested_by": {
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      },
      "rdfs:label": "Molecular mass",
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL",
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      ]
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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      "@value": [
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      ],
      "attested_by": {
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        "100.088815": [
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      },
      "rdfs:label": "Monoisotopic mass",
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL",
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2-methylvaleraldehyde

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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