Consensus flow list

Identity

Type
Neutral molecule
CAS
780-11-0
EC
212-303-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for M-tert-butylphenyl Methylcarbamate

Alternative labels

8

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string FSJYRLHKLVGCNH-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H17NO2/c1-12(2,3)9-6-5-7-10(8-9)15-11(14)13-4/h5-8H,1-4H3,(H,13,14)
IUPAC name chemrof:IUPAC_name M-tert-butylphenyl Methylcarbamate
Molecular formula chemrof:molecular_formula C12H17NO2
Molecular mass chemrof:molecular_mass 207.273
Monoisotopic mass chemrof:monoisotopic_mass 207.125929
SMILES string chemrof:smiles_string CNC(=O)Oc1cccc(C(C)(C)C)c1

Known URLs

7

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=780-11-0 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.011.185 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID80876907 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2046821 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J9.863I enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/13072 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q82858632 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
b11376d3-72e2-4488-be68-8dd522807fed Environmental → Air → Aircraft cruise height EF 3.1 kg 2
fb408d6b-3796-4d0d-bd33-f24cbe116d79 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
3e1bba31-1ffd-43dc-9865-84ce82b2c54a Environmental → Air → Indoor EF 3.1 kg 2
d111c401-4529-49d5-96c5-19701f0cb268 Environmental → Air → Long-term EF 3.1 kg 0
33eb988e-ca51-4135-8b64-ece5cf71d7f7 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
b4216b1b-be67-4c8e-b0f7-fb058f167520 Environmental → Air → Unknown EF 3.1 kg 2
25342528-bc7f-4e0a-bcb7-a0c94fcc827b Environmental → Ground → Agricultural EF 3.1 kg 2
58327ef5-1a94-4d09-bca3-9e168ec8a380 Environmental → Ground → Non-agricultural EF 3.1 kg 2
c52e6953-11d7-4bf6-a819-c2df2054fa26 Environmental → Ground → Unknown EF 3.1 kg 2
9ac25c89-47a1-4684-9f7d-30789e1a5c4b Environmental → Water → Long-term EF 3.1 kg 0
f61f9e52-5d24-46dd-96f0-7576e5971b5e Environmental → Water → Ocean EF 3.1 kg 2
a1538ba2-a3b0-4cd8-9042-abe36eef863c Environmental → Water → Surface water EF 3.1 kg 2
29bb9362-499f-43bf-902a-276ded4f0d94 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-02109d8ec53a6b34",
  "prefLabel": [
    {
      "@value": "M-tert-butylphenyl Methylcarbamate",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "3-tert-Butylphenyl methylcarbamate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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          "https://commonchemistry.cas.org/detail?cas_rn=780-11-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Carbamic acid, methyl-, m-tert-butylphenyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Knockbal",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "m-t-Butylphenyl methylcarbamate",
      "@language": "en",
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    },
    {
      "@value": "Phenol, 3-(1,1-dimethylethyl)-, 1-(N-methylcarbamate)",
      "@language": "en",
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    },
    {
      "@value": "Terbam",
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}

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