Consensus flow list

Identity

Type
Neutral molecule
CAS
768-59-2
EC
212-198-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for 4-ethylbenzyl Alcohol

Alternative labels

6

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string YSLBFFIVJGJBSA-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H12O/c1-2-8-3-5-9(7-10)6-4-8/h3-6,10H,2,7H2,1H3
IUPAC name chemrof:IUPAC_name 4-ethylbenzyl Alcohol
Molecular formula chemrof:molecular_formula C9H12O
Molecular mass chemrof:molecular_mass 136.194
Monoisotopic mass chemrof:monoisotopic_mass 136.088815, 136.08882
SMILES string chemrof:smiles_string CCc1ccc(CO)cc1

Known URLs

11

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=768-59-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:231519 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.011.089 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID00227614 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J139.758C enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=4-ETHYLBENZYL-ALCOHOL enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/13034 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/10809692 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19722601 enrich_references.chebi_xrefs
reaxys reaxys:2040909 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q72472898 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
20c56a75-d714-47c0-b0ca-e5119088a407 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
7d6e4d0c-5d02-4603-a13b-94565e8adab2 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
a9c965b4-5c6a-4acb-9569-975102507d74 Environmental → Air → Indoor EF 3.1 kg 2
a5d45676-2b9b-4380-abd0-6cadef5657d3 Environmental → Air → Long-term EF 3.1 kg 0
1c424c30-957b-4093-8c61-ac98a7703007 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
86d28c00-6bc7-4845-8aee-cb411650188f Environmental → Air → Unknown EF 3.1 kg 2
68becc72-101c-4096-a885-8d9a89ace25a Environmental → Ground → Agricultural EF 3.1 kg 2
2a8ca6dd-38eb-495c-947a-78a58a3ce6f4 Environmental → Ground → Non-agricultural EF 3.1 kg 2
5afc6e4a-0bd8-45c2-96eb-f533d72a27ca Environmental → Ground → Unknown EF 3.1 kg 2
bdb418e0-98b2-44fd-b08b-a13ca3b3e9c7 Environmental → Water → Long-term EF 3.1 kg 0
efc4ba54-69be-4bef-9f8d-f598d37cc6b9 Environmental → Water → Ocean EF 3.1 kg 2
aa44f0d8-8b4a-4085-b580-58769005f624 Environmental → Water → Surface water EF 3.1 kg 2
3a694970-8ff8-4d17-99d7-adf7669dc154 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
{
  "flow_object_id": "fo-6af544ecc33bc4cd",
  "prefLabel": [
    {
      "@value": "4-ethylbenzyl Alcohol",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
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  ],
  "altLabel": [
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      "@lang": "en",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "4-ethylbenzenemethanol",
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    {
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    {
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    {
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