Consensus flow list

Identity

Type
NeutralMolecule
CAS
3101-60-8
EC
221-453-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2-[(4-tert-butylphenoxy)methyl]oxirane

Alternative labels

28

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string HHRACYLRBOUBKM-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C13H18O2/c1-13(2,3)10-4-6-11(7-5-10)14-8-12-9-15-12/h4-7,12H,8-9H2,1-3H3
IUPAC name chemrof:IUPAC_name 2-[(4-tert-butylphenoxy)methyl]oxirane
Molecular formula chemrof:molecular_formula C13H18O2
Molecular mass chemrof:molecular_mass 206.285
Monoisotopic mass chemrof:monoisotopic_mass 206.13068
SMILES string chemrof:smiles_string CC(C)(C)c1ccc(OCC2CO2)cc1

Known URLs

10

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=3101-60-8 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.019.503 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.207.610 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1024702 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1890780 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/DUA9665YBG enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J64.262B enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/18360 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=017831 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27276612 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
19583dd0-49da-4785-9c12-972fa1ce4a3b Environmental → Air → Aircraft cruise height EF 3.1 kg 2
fca0a811-22b3-432c-963a-96587521588a Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
12ccd414-7ff3-4b82-85d9-b16134e3371a Environmental → Air → Indoor EF 3.1 kg 2
c20715cf-0738-4267-b7fc-1ee40ecebf48 Environmental → Air → Long-term EF 3.1 kg 0
4fc61795-5347-4f3a-affd-52e669fc957f Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
3e3afb0e-ad3c-4859-a15d-c0b89f3c88ef Environmental → Air → Unknown EF 3.1 kg 2
ad7e8fa5-060a-4652-8f5b-3b147538487c Environmental → Ground → Agricultural EF 3.1 kg 2
562d2348-705a-4724-884d-ed2e98a0955b Environmental → Ground → Non-agricultural EF 3.1 kg 2
f8dbb7f3-9394-41c6-8ed1-52b28dfe66d5 Environmental → Ground → Unknown EF 3.1 kg 2
4dbd148c-b6ca-4c58-89b2-923067c3b959 Environmental → Water → Long-term EF 3.1 kg 0
80557153-8f1d-48b8-82a8-38ba936a5c19 Environmental → Water → Ocean EF 3.1 kg 2
dc0f42d9-3f1a-4cb4-ae5a-99953ec6cbb2 Environmental → Water → Surface water EF 3.1 kg 2
00b8bc8c-bb2d-48ee-9553-7bed35e6d3ec 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-0dd02383e168fecf",
  "prefLabel": [
    {
      "@value": "2-[(4-tert-butylphenoxy)methyl]oxirane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(4-tert-Butylphenoxy)methyloxirane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-(p-tert-Butylphenoxy)-2,3-epoxypropane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-[[4-(1,1-Dimethylethyl)phenoxy]methyl]oxirane",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-(4-tert-Butylphenoxy)-1,2-epoxypropane",
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      "provenance": {
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      }
    },
    {
      "@value": "4-tert-Butylphenol glycidyl ether",
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    },
    {
      "@value": "4-tert-Butylphenyl glycidyl ether",
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    {
      "@value": "Adeka ED 509",
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    {
      "@value": "Adeka Glycilol ED 509",
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      "@value": "Adeka Glycilol ED 509E",
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    {
      "@value": "Adeka Glycilol ED 509S",
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    },
    {
      "@value": "Adeka Resin ED 509",
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        ],
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      }
    },
    {
      "@value": "Araldite DY-P",
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      "@lang": "en",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Denacol EX 146",
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      }
    },
    {
      "@value": "DY-P-US",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Epiol TB",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
      "@value": "Erisys GE 11",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Glycidyl 4-tert-butylphenyl ether",
      "@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": "Glycidyl p-tert-butylphenyl ether",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Heloxy 65",
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      }
    },
    {
      "@value": "Heloxy Modifier 65",
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    },
    {
      "@value": "Heloxy WC 65",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Oxirane, 2-[[4-(1,1-dimethylethyl)phenoxy]methyl]-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
      "@value": "Oxirane, [[4-(1,1-dimethylethyl)phenoxy]methyl]-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "p-tert-Butylphenol glycidyl ether",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "p-tert-Butylphenyl glycidyl ether",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Polypox R 7",
      "@language": "en",
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      "provenance": {
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        ],
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      }
    },
    {
      "@value": "Propane, 1-(p-tert-butylphenoxy)-2,3-epoxy-",
      "@language": "en",
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      "provenance": {
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        ],
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      }
    },
    {
      "@value": "TGE-H",
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      }
    }
  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C13H18O2"
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    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
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      "@value": [
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