Consensus flow list

Identity

Type
Neutral molecule
CAS
598-75-4
EC
209-950-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for 3-methyl-2-butanol

Alternative labels

14

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string MXLMTQWGSQIYOW-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C5H12O/c1-4(2)5(3)6/h4-6H,1-3H3
IUPAC name chemrof:IUPAC_name 3-methyl-2-butanol
Molecular formula chemrof:molecular_formula C5H12O
Molecular mass chemrof:molecular_mass 88.15
Monoisotopic mass chemrof:monoisotopic_mass 88.088815, 88.08882
SMILES string chemrof:smiles_string CC(C)C(C)O

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=598-75-4 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:77517 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.009.047 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID20862268 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=71162 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL443470 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/3-methyl-2-butanol enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/93FF0F303R enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0033777 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J43.343H enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=46203 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/11732 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/16833644 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22752178 enrich_references.chebi_xrefs
reaxys reaxys:1718800 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q4634173 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/3-Methyl-2-butanol enrich_references.chebi_xrefs

Elementary flows

12
Flow Context Source Unit CFs
172a169c-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 1
4d9a8790-3ddd-11dd-9af3-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 1
4d9a8790-3ddd-11dd-9af2-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 1
4d9a8790-3ddd-11dd-94cc-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 1
4d9a8790-3ddd-11dd-9af1-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 1
172a169a-6556-11dd-ad8b-0800200c9a66 Environmental → Ground → Agricultural EF 3.1 kg 0
172a169d-6556-11dd-ad8b-0800200c9a66 Environmental → Ground → Non-agricultural EF 3.1 kg 0
172a169f-6556-11dd-ad8b-0800200c9a66 Environmental → Ground → Unknown EF 3.1 kg 0
172a16a1-6556-11dd-ad8b-0800200c9a66 Environmental → Water → Long-term EF 3.1 kg 0
172a169e-6556-11dd-ad8b-0800200c9a66 Environmental → Water → Ocean EF 3.1 kg 0
172a169b-6556-11dd-ad8b-0800200c9a66 Environmental → Water → Surface water EF 3.1 kg 0
172a16a0-6556-11dd-ad8b-0800200c9a66 Environmental → Water → Unknown EF 3.1 kg 0

History

Everything that changed this substance (53 changes)

Open the changes page

Full record

Flow object JSON
{
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