Consensus flow list

P-(1,1-dimethylpropyl)phenol

fo-4f1de1c97d3bc823

Identity

Type
Neutral molecule
CAS
80-46-6
EC
201-280-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for P-(1,1-dimethylpropyl)phenol

Alternative labels

12

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string NRZWYNLTFLDQQX-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C11H16O/c1-4-11(2,3)9-5-7-10(12)8-6-9/h5-8,12H,4H2,1-3H3
IUPAC name chemrof:IUPAC_name 4-(1,1-dimethylpropyl)phenol, 4-(2-methylbutan-2-yl)phenol, 4-tert-amylphenol
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 CCC(C)(C)c1ccc(O)cc1

Known URLs

17

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=80-46-6 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:35096 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.001.165 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8021771 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=403672 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=4965 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL195693 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/6NP9LYK846 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0013825 enrich_references.chebi_xrefs
HMDB https://hmdb.ca/metabolites/HMDB0246582 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.250A enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C14226 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C14226 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=67525 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6643 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2430 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q26840951 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
f2e8ed47-cb7c-44dc-a1f1-14b23207b869 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
0bb0b417-ddd2-436d-ab37-756a5c39a40b Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
faf327d6-e3d6-4dcb-8335-7c84e35111ab Environmental → Air → Indoor EF 3.1 kg 4
5beb38a1-9cb8-464a-abca-82fe1449e801 Environmental → Air → Long-term EF 3.1 kg 0
72374fc7-5985-4780-a19c-ecd6a58ff828 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
31db0bd6-3e65-451f-8af5-e5b6ff2604a5 Environmental → Air → Unknown EF 3.1 kg 4
2bd50494-05b3-4441-9e88-03be3e557b29 Environmental → Ground → Agricultural EF 3.1 kg 4
4ea7217a-ede2-4932-bada-60f4fbda35cd Environmental → Ground → Non-agricultural EF 3.1 kg 4
3e3f5b1674efcdbb6a9e26152d3bde693883d793 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
4da3c614-4b15-4780-b4e5-a4faa01fc172 Environmental → Ground → Unknown EF 3.1 kg 4
9adf6419-76cb-492d-bb4f-9e0f5c7a3499 Environmental → Water → Long-term EF 3.1 kg 0
adfbe371-e3da-4df1-b90c-c2cb974f404b Environmental → Water → Ocean EF 3.1 kg 4
7cf90bcf-afc7-4615-9e01-b63d65651b89 Environmental → Water → Surface water EF 3.1 kg 4
b6a2ef51-afeb-4fda-825a-80795be24365 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON 
{
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