Propylbenzene

1-Phenylpropane
1-propylbenzene
Benzene, propyl-
Isocumene
n-Propylbenzene
Phenylpropane

Property	Value
Elemental charge chemrof:elemental_charge	0
InChI2D key string chemrof:inchi2d_key_string	ODLMAHJVESYWTB-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3
IUPAC name chemrof:IUPAC_name	Propylbenzene
Molecular formula chemrof:molecular_formula	C9H12
Molecular mass chemrof:molecular_mass	120.195
Monoisotopic mass chemrof:monoisotopic_mass	120.0939
SMILES string chemrof:smiles_string	CCCc1ccccc1

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=103-65-1	enrich_references.chebi_xrefs
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:42630	enrich_references.chebi_id_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.002.848	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID3042219	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=16941	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL286062	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/0WR86ZHG2Z	enrich_references.pubchem_identifier_url
HMDB	https://hmdb.ca/metabolites/HMDB0059877	enrich_references.chebi_xrefs
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.516F	enrich_references.pubchem_identifier_url
metabolomicsworkbench.org	https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=56468	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/7668	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/erg/#2364	enrich_references.pubchem_identifier_url
PubMed	https://pubmed.ncbi.nlm.nih.gov/23423853	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/24636564	enrich_references.chebi_xrefs
reaxys	reaxys:1903006	enrich_references.chebi_xrefs
Wikidata	https://www.wikidata.org/wiki/Q288806	enrich_references.pubchem_identifier_url
Wikipedia	https://en.wikipedia.org/wiki/N-Propylbenzene	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
f21411e2-6555-11dd-ad8b-0800200c9a66	Environmental → Air → Aircraft cruise height	EF 3.1	kg	3
fe0acd60-3ddc-11dd-a2c2-0050c2490048	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	3
01ea31a3-1940-4062-8617-f66f1cef0eb6	Environmental → Air → Indoor	EF 3.1	kg	2
fe0acd60-3ddc-11dd-a2c1-0050c2490048	Environmental → Air → Long-term	EF 3.1	kg	1
fe0acd60-3ddc-11dd-a2c3-0050c2490048	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	3
fe0acd60-3ddc-11dd-a2c0-0050c2490048	Environmental → Air → Unknown	EF 3.1	kg	3
f21411e0-6555-11dd-ad8b-0800200c9a66	Environmental → Ground → Agricultural	EF 3.1	kg	2
f21411e3-6555-11dd-ad8b-0800200c9a66	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
f21411e5-6555-11dd-ad8b-0800200c9a66	Environmental → Ground → Unknown	EF 3.1	kg	2
f21411e7-6555-11dd-ad8b-0800200c9a66	Environmental → Water → Long-term	EF 3.1	kg	0
f21411e4-6555-11dd-ad8b-0800200c9a66	Environmental → Water → Ocean	EF 3.1	kg	2
f21411e1-6555-11dd-ad8b-0800200c9a66	Environmental → Water → Surface water	EF 3.1	kg	2
f21411e6-6555-11dd-ad8b-0800200c9a66	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (57 changes)

Open the changes page

Flow object JSON

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    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "01ea31a3-1940-4062-8617-f66f1cef0eb6",
    "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": [
        "103-65-1"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=103-65-1"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=103-65-1"
        }
      ],
      "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": [
        "203-132-9"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=203-132-9"
      ],
      "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,
  "http://www.w3.org/2004/02/skos/core#definition": [
    {
      "@value": "An alkylbenzene that is benzene having one of its aromatic hydrogens substituted by a propyl group.",
      "@language": "en",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_definition",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_42630"
        ],
        "prov:wasDerivedFrom": "chebi.definition"
      }
    }
  ],
  "@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

Propylbenzene

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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