Consensus flow list

Identity

Type
Neutral molecule
CAS
96-14-0
EC
202-481-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
80 across every transformer

Structure

Structure diagram for 3-methylpentane

Alternative labels

4

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string PFEOZHBOMNWTJB-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3
IUPAC name chemrof:IUPAC_name 3-methylpentane, 3-Methylpentane
Molecular formula chemrof:molecular_formula C6H14
Molecular mass chemrof:molecular_mass 86.178
Monoisotopic mass chemrof:monoisotopic_mass 86.10955
SMILES string chemrof:smiles_string CCC(C)CC

Known URLs

38

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=96-14-0 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:88373 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.257 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1263 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.7010.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8052647 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=66497 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL357767 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/XD8O3ML76T enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0061885 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J43.510D enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7282 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1208 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/10537375 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/14606759 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16268709 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16571033 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17640142 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18715094 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19167006 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21142311 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22897295 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22957578 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24421258 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25873461 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26571341 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27437092 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/28782789 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/28817263 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/29096506 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/29587216 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/32307686 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/422277 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/8191283 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/9904581 enrich_references.chebi_xrefs
reaxys reaxys:1730734 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q223107 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/3-Methylpentane enrich_references.chebi_xrefs

Elementary flows

16
Flow Context Source Unit CFs
e2fb5308-6555-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 1
4d9a8790-3ddd-11dd-9060-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 1
4d9a8790-3ddd-11dd-905f-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 1
4d9a8790-3ddd-11dd-9061-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 1
08a91e70-3ddc-11dd-a021-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 1
e2fb5306-6555-11dd-ad8b-0800200c9a66 Environmental → Ground → Agricultural EF 3.1 kg 0
e2fb79e0-6555-11dd-ad8b-0800200c9a66 Environmental → Ground → Non-agricultural EF 3.1 kg 0
e2fb79e2-6555-11dd-ad8b-0800200c9a66 Environmental → Ground → Unknown EF 3.1 kg 0
20bf0170-2ab1-4e69-9dd8-d957758351e1 Environmental → Water → Long-term EF 3.1 kg 0
aa098778-1cb8-49e9-bb1c-38245b5885cd Environmental → Water → Ocean EF 3.1 kg 0
d42331c6-f163-4c0b-ac76-c8f9bd6683bc Environmental → Water → Surface water EF 3.1 kg 0
41d73a8a-e0c1-42ef-b2a2-e470302fee86 Environmental → Water → Unknown EF 3.1 kg 0
e2fb79e4-6555-11dd-ad8b-0800200c9a66 deprecated Environmental → Water → Long-term EF 3.1 kg 0
e2fb79e1-6555-11dd-ad8b-0800200c9a66 deprecated Environmental → Water → Ocean EF 3.1 kg 0
e2fb5307-6555-11dd-ad8b-0800200c9a66 deprecated Environmental → Water → Surface water EF 3.1 kg 0
e2fb79e3-6555-11dd-ad8b-0800200c9a66 deprecated Environmental → Water → Unknown EF 3.1 kg 0

History

Everything that changed this substance (80 changes)

Open the changes page

Full record

Flow object JSON
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