Consensus flow list

Identity

Type
NeutralMolecule
CAS
144-19-4
EC
205-619-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 2,2,4-Trimethyl-1,3-pentanediol

Alternative labels

4

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string JCTXKRPTIMZBJT-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H18O2/c1-6(2)7(10)8(3,4)5-9/h6-7,9-10H,5H2,1-4H3
IUPAC name chemrof:IUPAC_name 2,2,4-Trimethyl-1,3-pentanediol
Molecular formula chemrof:molecular_formula C8H18O2
Molecular mass chemrof:molecular_mass 146.23
Monoisotopic mass chemrof:monoisotopic_mass 146.13068
SMILES string chemrof:smiles_string CC(C)C(O)C(C)(C)CO

Known URLs

13

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=144-19-4 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:229396 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.005.109 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.8602.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8027113 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=6368 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3184961 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/WT1X081P0L enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J12.976C enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/D71064 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8946 enrich_references.pubchem_compound
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/1607329 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q24817446 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
d8cc8153-0336-43f0-b3b2-1015ff503232 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
9be5cfc9-fc33-4e77-8370-b90f7596d724 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
c2bbef8e-ea52-47e4-8fb5-bce7e9919c14 Environmental → Air → Indoor EF 3.1 kg 2
11666401-35a7-4dd3-a661-041e19c39e7e Environmental → Air → Long-term EF 3.1 kg 0
b4feceb5-0913-4ee3-915b-8bddd8cdc6b8 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
39dd0302-a31a-4778-a1e1-3ff1c9adf5e8 Environmental → Air → Unknown EF 3.1 kg 2
50ffa249-fd53-4394-a3ba-8b78f26745ab Environmental → Ground → Agricultural EF 3.1 kg 2
0efa8487-541d-48d7-9f74-2431b6820e42 Environmental → Ground → Non-agricultural EF 3.1 kg 2
ee4c1354-6f07-4157-8a13-ee99866ed721 Environmental → Ground → Unknown EF 3.1 kg 2
8d1788cc-6034-419e-a95c-43f77e067715 Environmental → Water → Long-term EF 3.1 kg 0
7e98d0b1-4e58-4bbd-a6ba-5a01b46aedec Environmental → Water → Ocean EF 3.1 kg 2
dff7ba77-2898-4b03-90c1-05b74e4f9063 Environmental → Water → Surface water EF 3.1 kg 2
5ac25b1e-0db2-4a18-8bec-3bcf74fe0b97 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
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