2-[(4-tert-butylphenoxy)methyl]oxirane

(4-tert-Butylphenoxy)methyloxirane
1-(p-tert-Butylphenoxy)-2,3-epoxypropane
2-[[4-(1,1-Dimethylethyl)phenoxy]methyl]oxirane
3-(4-tert-Butylphenoxy)-1,2-epoxypropane
4-tert-Butylphenol glycidyl ether
4-tert-Butylphenyl glycidyl ether
Adeka ED 509
Adeka Glycilol ED 509
Adeka Glycilol ED 509E
Adeka Glycilol ED 509S
Adeka Resin ED 509
Araldite DY-P
Denacol EX 146
DY-P-US
Epiol TB
Erisys GE 11
Glycidyl 4-tert-butylphenyl ether
Glycidyl p-tert-butylphenyl ether
Heloxy 65
Heloxy Modifier 65
Heloxy WC 65
Oxirane, 2-[[4-(1,1-dimethylethyl)phenoxy]methyl]-
Oxirane, [[4-(1,1-dimethylethyl)phenoxy]methyl]-
p-tert-Butylphenol glycidyl ether
p-tert-Butylphenyl glycidyl ether
Polypox R 7
Propane, 1-(p-tert-butylphenoxy)-2,3-epoxy-
TGE-H

Property	Value
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

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	https://www.wikidata.org/wiki/Q27276612	enrich_references.pubchem_identifier_url

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

Everything that changed this substance (54 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-0dd02383e168fecf",
  "prefLabel": [
    {
      "@value": "2-[(4-tert-butylphenoxy)methyl]oxirane",
      "@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": "(4-tert-Butylphenoxy)methyloxirane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:3101-60-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=3101-60-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-(p-tert-Butylphenoxy)-2,3-epoxypropane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:3101-60-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=3101-60-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-[[4-(1,1-Dimethylethyl)phenoxy]methyl]oxirane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:3101-60-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=3101-60-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-(4-tert-Butylphenoxy)-1,2-epoxypropane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:3101-60-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=3101-60-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-tert-Butylphenol glycidyl ether",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:3101-60-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=3101-60-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-tert-Butylphenyl glycidyl ether",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:3101-60-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=3101-60-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Adeka ED 509",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:3101-60-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=3101-60-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Adeka Glycilol ED 509",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:3101-60-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=3101-60-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Adeka Glycilol ED 509E",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:3101-60-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=3101-60-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Adeka Glycilol ED 509S",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:3101-60-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=3101-60-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Adeka Resin ED 509",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:3101-60-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=3101-60-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Araldite DY-P",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:3101-60-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=3101-60-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Denacol EX 146",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:3101-60-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=3101-60-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "DY-P-US",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:3101-60-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=3101-60-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Epiol TB",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:3101-60-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=3101-60-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Erisys GE 11",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:3101-60-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=3101-60-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Glycidyl 4-tert-butylphenyl ether",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:3101-60-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=3101-60-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Glycidyl p-tert-butylphenyl ether",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:3101-60-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=3101-60-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Heloxy 65",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:3101-60-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=3101-60-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Heloxy Modifier 65",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:3101-60-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=3101-60-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Heloxy WC 65",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:3101-60-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=3101-60-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Oxirane, 2-[[4-(1,1-dimethylethyl)phenoxy]methyl]-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:3101-60-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=3101-60-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Oxirane, [[4-(1,1-dimethylethyl)phenoxy]methyl]-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:3101-60-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=3101-60-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "p-tert-Butylphenol glycidyl ether",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:3101-60-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=3101-60-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "p-tert-Butylphenyl glycidyl ether",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:3101-60-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=3101-60-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Polypox R 7",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:3101-60-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=3101-60-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Propane, 1-(p-tert-butylphenoxy)-2,3-epoxy-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:3101-60-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=3101-60-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "TGE-H",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:3101-60-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=3101-60-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C13H18O2"
      ],
      "attested_by": {
        "C13H18O2": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:18360"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C)(C)c1ccc(OCC2CO2)cc1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "HHRACYLRBOUBKM-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "HHRACYLRBOUBKM-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:18360"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C)(C)c1ccc(OCC2CO2)cc1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CC(C)(C)c1ccc(OCC2CO2)cc1"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "2-[(4-tert-butylphenoxy)methyl]oxirane"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C)(C)c1ccc(OCC2CO2)cc1"
          ]
        }
      ],
      "attested_by": {
        "CC(C)(C)c1ccc(OCC2CO2)cc1": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "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"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "2-[(4-tert-butylphenoxy)methyl]oxirane"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C)(C)c1ccc(OCC2CO2)cc1"
          ]
        }
      ],
      "attested_by": {
        "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": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "2-[(4-tert-butylphenoxy)methyl]oxirane"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "2-[(4-tert-butylphenoxy)methyl]oxirane"
        ]
      },
      "attested_by": {
        "2-[(4-tert-butylphenoxy)methyl]oxirane": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        206.285
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C)(C)C1=CC=C(C=C1)OCC2CO2"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C)(C)c1ccc(OCC2CO2)cc1"
          ]
        }
      ],
      "attested_by": {
        "206.285": [
          "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": [
        206.13068
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C)(C)C1=CC=C(C=C1)OCC2CO2"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C)(C)c1ccc(OCC2CO2)cc1"
          ]
        }
      ],
      "attested_by": {
        "206.13068": [
          "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=J64.262B",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:18360;CAS:3101-60-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[3101-60-8]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.019.503",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:18360;CAS:3101-60-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[3101-60-8]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.207.610",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:18360;CAS:3101-60-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[3101-60-8]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=3101-60-8",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "3101-60-8"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID1024702",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:18360;CAS:3101-60-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[3101-60-8]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/DUA9665YBG",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:18360;CAS:3101-60-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[3101-60-8]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/18360",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:18360;CAS:3101-60-8"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[3101-60-8]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=017831",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:18360;CAS:3101-60-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[3101-60-8]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1890780",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:18360;CAS:3101-60-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[3101-60-8]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q27276612",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:18360;CAS:3101-60-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[3101-60-8]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "00b8bc8c-bb2d-48ee-9553-7bed35e6d3ec",
    "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": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "3101-60-8"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=3101-60-8"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=3101-60-8"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "221-453-2"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=221-453-2"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "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

2-[(4-tert-butylphenoxy)methyl]oxirane

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

Something wrong here?

Keyboard