Diprop-2-enyl Carbonate

Allyl carbonate
Carbonic acid, di-2-propen-1-yl ester
Carbonic acid, di-2-propenyl ester
Carbonic acid, diallyl ester
Diallyl carbonate

Property	Value
InChI2D key string chemrof:inchi2d_key_string	JKJWYKGYGWOAHT-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C7H10O3/c1-3-5-9-7(8)10-6-4-2/h3-4H,1-2,5-6H2
IUPAC name chemrof:IUPAC_name	Diprop-2-enyl Carbonate
Molecular formula chemrof:molecular_formula	C7H10O3
Molecular mass chemrof:molecular_mass	142.154
Monoisotopic mass chemrof:monoisotopic_mass	142.062994
SMILES string chemrof:smiles_string	C=CCOC(=O)OCC=C

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=15022-08-9	enrich_references.pubchem_identifier_url
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=25549-94-4	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.035.537	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID6065846	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=19177	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/J9P2G65CXJ	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J23.984D	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/84764	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q81992451	enrich_references.pubchem_identifier_url
Wikipedia	https://en.wikipedia.org/wiki/Diallyl_carbonate	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
2b3b45f9-3ae4-4d33-a289-ec97543519df	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
cfde5621-380b-45d8-bae5-69b75cbe80fc	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
82255c15-c628-45e7-8422-938e6a9350a4	Environmental → Air → Indoor	EF 3.1	kg	2
e21c988d-52a7-4b00-bf6b-9d0ed1f42138	Environmental → Air → Long-term	EF 3.1	kg	0
24c14393-4166-423c-bb24-961d7009734b	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
6c4cee78-6160-4bde-847e-1be720e5865a	Environmental → Air → Unknown	EF 3.1	kg	2
f6aeaeee-2061-4418-9026-e1aaaf65eccc	Environmental → Ground → Agricultural	EF 3.1	kg	2
755f9dd6-3a6a-4d82-ab13-37c019be1af1	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
a32daf7d-03da-4981-8eec-86e940875974	Environmental → Ground → Unknown	EF 3.1	kg	2
6dc718b5-7721-4375-876d-f0ad9f3f9d13	Environmental → Water → Long-term	EF 3.1	kg	0
d4f7950e-1455-416d-be80-181db0f65fcc	Environmental → Water → Ocean	EF 3.1	kg	2
eaee35df-688b-43e3-8bb7-ec5be8267536	Environmental → Water → Surface water	EF 3.1	kg	2
04c11e14-ab23-4608-adc0-d1aa7d536254	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (55 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-bce6dc0bc06fa387",
  "prefLabel": [
    {
      "@value": "Diprop-2-enyl Carbonate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Allyl carbonate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:15022-08-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=15022-08-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Carbonic acid, di-2-propen-1-yl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:15022-08-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=15022-08-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Carbonic acid, di-2-propenyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:15022-08-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=15022-08-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Carbonic acid, diallyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:15022-08-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=15022-08-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Diallyl carbonate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:15022-08-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=15022-08-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C7H10O3"
      ],
      "attested_by": {
        "C7H10O3": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "CID:84764"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "C=CCOC(=O)OCC=C"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "JKJWYKGYGWOAHT-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "JKJWYKGYGWOAHT-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "CID:84764"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "C=CCOC(=O)OCC=C"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "C=CCOC(=O)OCC=C"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "Diprop-2-enyl Carbonate"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "C=CCOC(=O)OCC=C"
          ]
        }
      ],
      "attested_by": {
        "C=CCOC(=O)OCC=C": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C7H10O3/c1-3-5-9-7(8)10-6-4-2/h3-4H,1-2,5-6H2"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "Diprop-2-enyl Carbonate"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "C=CCOC(=O)OCC=C"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C7H10O3/c1-3-5-9-7(8)10-6-4-2/h3-4H,1-2,5-6H2": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "Diprop-2-enyl Carbonate"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "Diprop-2-enyl Carbonate"
        ]
      },
      "attested_by": {
        "Diprop-2-enyl Carbonate": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        142.154
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "C=CCOC(=O)OCC=C"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "C=CCOC(=O)OCC=C"
          ]
        }
      ],
      "attested_by": {
        "142.154": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
        142.062994
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "C=CCOC(=O)OCC=C"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "C=CCOC(=O)OCC=C"
          ]
        }
      ],
      "attested_by": {
        "142.062994": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J23.984D",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:84764;CAS:15022-08-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[15022-08-9]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.035.537",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:84764;CAS:15022-08-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[15022-08-9]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=15022-08-9",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:84764;CAS:15022-08-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[15022-08-9]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=25549-94-4",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:84764;CAS:15022-08-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[15022-08-9]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID6065846",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:84764;CAS:15022-08-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[15022-08-9]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=19177",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:84764;CAS:15022-08-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[15022-08-9]"
      }
    },
    {
      "@id": "https://en.wikipedia.org/wiki/Diallyl_carbonate",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:84764;CAS:15022-08-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[15022-08-9]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/J9P2G65CXJ",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:84764;CAS:15022-08-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[15022-08-9]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/84764",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:84764;CAS:15022-08-9"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[15022-08-9]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q81992451",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:84764;CAS:15022-08-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[15022-08-9]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "04c11e14-ab23-4608-adc0-d1aa7d536254",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "15022-08-9"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=15022-08-9"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=15022-08-9"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "239-106-9"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=239-106-9"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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

Diprop-2-enyl Carbonate

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

Something wrong here?

Keyboard