Consensus flow list

Identity

Type
Neutral molecule
CAS
5413-60-5
EC
226-501-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 3a,4,5,6,7,7a-hexahydro-1h-4,7-methanoinden-6-yl Acetate

Alternative labels

9

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string RGVQNSFGUOIKFF-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H16O2/c1-7(13)14-12-6-8-5-11(12)10-4-2-3-9(8)10/h2-3,8-12H,4-6H2,1H3
IUPAC name chemrof:IUPAC_name 3a,4,5,6,7,7a-hexahydro-1h-4,7-methanoinden-6-yl Acetate
Molecular formula chemrof:molecular_formula C12H16O2
Molecular mass chemrof:molecular_mass 192.258
Monoisotopic mass chemrof:monoisotopic_mass 192.11503
SMILES string chemrof:smiles_string CC(=O)OC1CC2CC1C1CC=CC21

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=5413-60-5 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.024.092 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4029270 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=6598 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/5232EN3X2F enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J217.985G enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/110655 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q10878625 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
b1bec364-0384-46b1-8190-b90c2f74ce0c Environmental → Air → Aircraft cruise height EF 3.1 kg 2
91dc686a-deb9-4bb2-a85e-5f679cdc4f6d Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
9c7a6602-db05-42d9-a02c-dc308554a265 Environmental → Air → Indoor EF 3.1 kg 2
271bf8da-b1c9-4b91-8244-c85093157a21 Environmental → Air → Long-term EF 3.1 kg 0
8845372f-fd34-45fd-bee2-3db2e7c25fec Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
18039f62-74f5-4241-97c4-a9e19a866b6e Environmental → Air → Unknown EF 3.1 kg 2
c55495ba-fa3e-4edc-b258-b8a68ae1360a Environmental → Ground → Agricultural EF 3.1 kg 2
31557918-ed12-4099-9a5e-52b02c3a2a1f Environmental → Ground → Non-agricultural EF 3.1 kg 2
8f95a605-969b-4639-8aa1-bbc525d967df Environmental → Ground → Unknown EF 3.1 kg 2
2f06c457-8b9e-466e-97c8-5f6f2ac33be9 Environmental → Water → Long-term EF 3.1 kg 0
eb2ba152-d3f1-4617-9c99-578e241bcc8d Environmental → Water → Ocean EF 3.1 kg 2
5590e4ed-75cf-4333-bd5a-e481c8ea9c0d Environmental → Water → Surface water EF 3.1 kg 2
6cdc1501-105a-4c83-8229-655234f7ebb8 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-da8c2c7f1ac3ada8",
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      "@value": "3a,4,5,6,7,7a-hexahydro-1h-4,7-methanoinden-6-yl Acetate",
      "@language": "en",
      "@lang": "en",
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      }
    }
  ],
  "altLabel": [
    {
      "@value": "4,7-Methano-1H-inden-6-ol, 3a,4,5,6,7,7a-hexahydro-, 6-acetate",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4,7-Methano-1H-inden-6-ol, 3a,4,5,6,7,7a-hexahydro-, acetate",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4,7-Methano-3a,4,5,6,7,7a-hexahydroinden-6-yl acetate",
      "@language": "en",
      "@lang": "en",
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      }
    },
    {
      "@value": "4,7-Methanoinden-6-ol, 3a,4,5,6,7,7a-hexahydro-, acetate",
      "@language": "en",
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      }
    },
    {
      "@value": "8-Acetoxytricyclo[5.2.1.02,6]dec-3-ene",
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    },
    {
      "@value": "Greenyl acetate",
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    },
    {
      "@value": "Jasmacyclene",
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