Consensus flow list

Identity

Type
Neutral molecule
CAS
924-50-5
EC
213-107-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Methyl 3-methylbut-2-enoate

Alternative labels

13

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string FZIBCCGGICGWBP-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H10O2/c1-5(2)4-6(7)8-3/h4H,1-3H3
IUPAC name chemrof:IUPAC_name Methyl 3-methylbut-2-enoate
Molecular formula chemrof:molecular_formula C6H10O2
Molecular mass chemrof:molecular_mass 114.144
Monoisotopic mass chemrof:monoisotopic_mass 114.06808
SMILES string chemrof:smiles_string COC(=O)C=C(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=924-50-5 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.011.917 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1061283 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL299017 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/6YS6J4URT3 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J111.191D enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/13546 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72492778 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
d052f7b9-3f1a-4b97-9499-10b99f9ebf7b Environmental → Air → Aircraft cruise height EF 3.1 kg 2
43a76ca2-aa45-405b-af26-b9b4ddccd23d Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
e5a8020a-8ae1-46c7-8ecc-390c3923b585 Environmental → Air → Indoor EF 3.1 kg 2
b913394e-602d-4f31-b1bc-fab4ddea1449 Environmental → Air → Long-term EF 3.1 kg 0
db44305c-5123-40d6-97ef-f8f4b5880bdc Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
2d83ee28-1e57-43f6-8822-f4b3980ddb35 Environmental → Air → Unknown EF 3.1 kg 2
c8559f80-0aa1-4e27-9d36-d94d934436f1 Environmental → Ground → Agricultural EF 3.1 kg 2
cfb6309f-fd6f-4a25-8449-c928e1b2a89b Environmental → Ground → Non-agricultural EF 3.1 kg 2
ce198293-d158-425f-91a7-aa7c980f14ad Environmental → Ground → Unknown EF 3.1 kg 2
be0ed801-a4d8-465a-b8d8-fc1c599e67e8 Environmental → Water → Long-term EF 3.1 kg 0
0c558c7d-4da2-40ae-8d48-1d261b60a6d6 Environmental → Water → Ocean EF 3.1 kg 2
848b0455-6ef6-402f-87f3-4fb350ca1bed Environmental → Water → Surface water EF 3.1 kg 2
dfef5c9b-f3df-4f14-8b29-4354e6df3b7d Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-c17ceda88f941dd2",
  "prefLabel": [
    {
      "@value": "Methyl 3-methylbut-2-enoate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-Butenoic acid, 3-methyl-, methyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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          "https://commonchemistry.cas.org/detail?cas_rn=924-50-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Methyl-2-butenoic acid methyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Methylcrotonic acid methyl ester",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Crotonic acid, 3-methyl-, methyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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    },
    {
      "@value": "Methyl 3,3-dimethacrylate",
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      }
    },
    {
      "@value": "Methyl 3,3-dimethylacrylate",
      "@language": "en",
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    {
      "@value": "Methyl 3-methyl-2-butenoate",
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    },
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      "@value": "Methyl 3-methylcrotonate",
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    },
    {
      "@value": "Methyl dimethylacrylate",
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      "@value": "Methyl senecioate",
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    },
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}

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