Pentylbenzene

1-Pentylbenzene
1-Phenyl-n-pentane
1-Phenylpentane
Amylbenzene
Benzene, pentyl-
n-Amylbenzene
n-Pentylbenzene
Pentane, 1-phenyl-

Property	Value
Elemental charge chemrof:elemental_charge	0
InChI2D key string chemrof:inchi2d_key_string	PWATWSYOIIXYMA-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C11H16/c1-2-3-5-8-11-9-6-4-7-10-11/h4,6-7,9-10H,2-3,5,8H2,1H3
IUPAC name chemrof:IUPAC_name	Pentylbenzene
Molecular formula chemrof:molecular_formula	C11H16
Molecular mass chemrof:molecular_mass	148.249
Monoisotopic mass chemrof:monoisotopic_mass	148.1252, 148.125201
SMILES string chemrof:smiles_string	CCCCCc1ccccc1

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=538-68-1	enrich_references.chebi_xrefs
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:176693	enrich_references.chebi_id_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.007.911	enrich_references.pubchem_identifier_url
ChemSpider	https://www.chemspider.com/Chemical-Structure.10404.html	enrich_references.chebi_xrefs
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID6022054	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=73982	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/5409M6Z67M	enrich_references.pubchem_identifier_url
HMDB	https://hmdb.ca/metabolites/HMDB0059834	enrich_references.chebi_xrefs
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J6.376B	enrich_references.pubchem_identifier_url
pdb-ccd	pdb-ccd:3H2	enrich_references.chebi_xrefs
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/10864	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q9545681	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
4bdef9ea-6be1-498b-9593-7d434c043d68	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
cf85586d-d5a1-4de7-a301-80b005fe8506	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
ae6148a3-55be-4cd7-b67c-f4ed75a56496	Environmental → Air → Indoor	EF 3.1	kg	2
faa71167-8e1e-463c-8632-996dd9dd6338	Environmental → Air → Long-term	EF 3.1	kg	0
29c7355b-eb25-4c84-a9d6-3d41110ab030	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
3e0beb7e-cd6f-47dc-9899-6f6afb61a263	Environmental → Air → Unknown	EF 3.1	kg	2
4b023207-188f-4d95-b033-74d5cc5e6b2a	Environmental → Ground → Agricultural	EF 3.1	kg	2
8101c508-29dd-4a5a-aa8f-1ca3392a966b	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
50428712-394d-44a0-9af9-ee5634f5d202	Environmental → Ground → Unknown	EF 3.1	kg	2
e8855db8-1e1f-4376-9a80-dc824e6ebf4f	Environmental → Water → Long-term	EF 3.1	kg	0
0773d21c-b5a5-4e7e-9905-637d8a5e5928	Environmental → Water → Ocean	EF 3.1	kg	2
46b7a7cf-0447-4c60-bf23-2eef9740b125	Environmental → Water → Surface water	EF 3.1	kg	2
37cad343-3952-4bc7-897e-72758106cd48	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (56 changes)

Open the changes page

Flow object JSON

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        "https://commonchemistry.cas.org/detail?cas_rn=538-68-1"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=538-68-1"
        }
      ],
      "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": [
        "208-701-5"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=208-701-5"
      ],
      "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

Pentylbenzene

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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