Consensus flow list

4-tert-butylbenzyl Alcohol

fo-51e6814071b88166

Identity

Type
Neutral molecule
CAS
877-65-6
EC
212-894-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for 4-tert-butylbenzyl Alcohol

Alternative labels

9

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string FVEINXLJOJPHLH-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C11H16O/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7,12H,8H2,1-3H3
IUPAC name chemrof:IUPAC_name 4-tert-butylbenzyl Alcohol
Molecular formula chemrof:molecular_formula C11H16O
Molecular mass chemrof:molecular_mass 164.248
Monoisotopic mass chemrof:monoisotopic_mass 164.120115, 164.12012
SMILES string chemrof:smiles_string CC(C)(C)c1ccc(CO)cc1

Known URLs

9

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=877-65-6 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:167335 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.011.722 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.12842.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5061249 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/T4Q3YX9P4N enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J149.821E enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/13416 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q43686037 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
ba180c1d-0372-4cfb-8227-9956175c9e81 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
47e3abc0-9a1e-4de3-8282-8eb7db36c203 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
c703669e-6b98-4795-a1e7-e3cc3d9342a4 Environmental → Air → Indoor EF 3.1 kg 2
3032a94a-04f0-413b-ac96-196095d34b49 Environmental → Air → Long-term EF 3.1 kg 0
635bbc93-f8d3-4b32-a4b2-acfae5cba5e8 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
99cec04b-7fa3-43a7-9697-9c6156a65927 Environmental → Air → Unknown EF 3.1 kg 2
44f3e3c4-8e15-4af6-8838-16ddae5ca88a Environmental → Ground → Agricultural EF 3.1 kg 2
b7c53a51-18dc-4472-b6c3-4ad9cd168fcc Environmental → Ground → Non-agricultural EF 3.1 kg 2
4c745e20-a4c2-434a-8c97-3aff0686e0b9 Environmental → Ground → Unknown EF 3.1 kg 2
37ba9c9e-830f-4be7-a36c-19fa62fcc083 Environmental → Water → Long-term EF 3.1 kg 0
2b5eee23-677c-4580-8876-6a22173cdb22 Environmental → Water → Ocean EF 3.1 kg 2
abe0e0f8-8c5f-4f7b-af8d-e82236b68e4e Environmental → Water → Surface water EF 3.1 kg 2
15784873-098b-44a1-9710-da1641f5fba4 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON 
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        "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"
  ]
}

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