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Dimethrin

fo-fd0c27eaef7dcde3

Identity

Type
Neutral molecule
CAS
70-38-2
EC
—
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Dimethrin

Alternative labels

9

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string FHNKBSDJERHDHZ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C19H26O2/c1-12(2)9-16-17(19(16,5)6)18(20)21-11-15-8-7-13(3)10-14(15)4/h7-10,16-17H,11H2,1-6H3
IUPAC name chemrof:IUPAC_name 2,4-Dimethylbenzyl 2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylate
Molecular formula chemrof:molecular_formula C19H26O2
Molecular mass chemrof:molecular_mass 286.415
Monoisotopic mass chemrof:monoisotopic_mass 286.19328
SMILES string chemrof:smiles_string CC(C)=CC1C(C(=O)OCc2ccc(C)cc2C)C1(C)C

Known URLs

8

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=70-38-2 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8040305 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=15731 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/SRP5SEK6S1 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.876C enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=144480 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6265 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q27289354 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
baf0e922-9c6e-48d5-a95b-5e95aa2c2809 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
6064be12-2726-45ac-9a43-308b8473739b Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
a232c2a9-5aa7-4a1e-a0bb-bdbb171976f6 Environmental → Air → Indoor EF 3.1 kg 2
ef6acac2-eecc-4110-96f9-36c5eafb77a6 Environmental → Air → Long-term EF 3.1 kg 0
614d04b1-1773-4ac4-948a-ce5f16f03019 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
01548396-bc90-4fb0-ab27-e80307660275 Environmental → Air → Unknown EF 3.1 kg 2
66cd433a-4252-4d65-af78-77e0f2e12a5b Environmental → Ground → Agricultural EF 3.1 kg 2
ebf9aec5-30d4-4f01-8bac-c0a0cb3b6e28 Environmental → Ground → Non-agricultural EF 3.1 kg 2
551fbf837b6dd4c380da3c7d9513dbcb9b714111 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
e2c32e16-6bd3-496d-807d-6311a5ad1da9 Environmental → Ground → Unknown EF 3.1 kg 2
7b0da88e-2bf3-4ec0-9848-631dcc7c6ab6 Environmental → Water → Long-term EF 3.1 kg 0
59459d2c-b8d4-4b1f-a8be-0bf9d13a2108 Environmental → Water → Ocean EF 3.1 kg 2
61b28f21-bab7-4008-a130-70bc0a5c15bb Environmental → Water → Surface water EF 3.1 kg 2
722f3700-0962-4899-8257-b05c3a602787 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-fd0c27eaef7dcde3",
  "prefLabel": [
    {
      "@value": "Dimethrin",
      "@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": "2,4-Dimethylbenzyl 2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:70-38-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=70-38-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,4-Dimethylbenzyl chrysanthemumate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:70-38-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=70-38-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Chrysanthemumic acid 2,4-dimethylbenzyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:70-38-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=70-38-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Chrysanthemummonocarboxylic acid, 2,4-dimethylbenzyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:70-38-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=70-38-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, (2,4-dimethylphenyl)methyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:70-38-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=70-38-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (2,4-dimethylphenyl)methyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:70-38-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=70-38-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methylpropenyl)-, 2,4-dimethylbenzyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:70-38-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=70-38-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dimetrin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "ENT 21,170",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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  ],
  "properties": {
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        ]
      },
      "rdfs:label": "Molecular formula",
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        },
        {
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    },
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      ],
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    "https://w3id.org/chemrof/smiles_string": {
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        },
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
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      ],
      "attested_by": {
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        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C19H26O2/c1-12(2)9-16-17(19(16,5)6)18(20)21-11-15-8-7-13(3)10-14(15)4/h7-10,16-17H,11H2,1-6H3"
      ],
      "provenance": [
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        },
        {
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          "prov:hadPrimarySource": [
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          ]
        }
      ],
      "attested_by": {
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      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      "@value": [
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      ],
      "provenance": {
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      },
      "attested_by": {
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      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
      "@value": [
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      ],
      "provenance": [
        {
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      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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      "rdfs:label": "Monoisotopic mass",
      "@value": [
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      "provenance": [
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        },
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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      ],
      "attested_by": {
        "286.19328": [
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        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
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      "provenance": {
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        "prov:wasDerivedFrom": "pubchem.identifiers[70-38-2]"
      }
    },
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    },
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    {
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        "prov:wasDerivedFrom": "pubchem.identifiers[70-38-2]"
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    },
    {
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        "prov:wasDerivedFrom": "pubchem.by_cas[70-38-2]"
      }
    },
    {
      "@id": "https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=144480",
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    },
    {
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        "prov:wasDerivedFrom": "pubchem.identifiers[70-38-2]"
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  "created_from": {
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    "seed_uuid": "01548396-bc90-4fb0-ab27-e80307660275",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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      "reason": "",
      "types": [
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      "provenance": {
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  },
  "classifications": {
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      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=70-38-2"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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        "prov:hadPrimarySource": [
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        "prov:wasDerivedFrom": "cas_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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