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Methyl Stearate

fo-2f17cce6caebb726

Identity

Type
Neutral molecule
CAS
112-61-8
EC
203-990-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Methyl Stearate

Alternative labels

14

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string HPEUJPJOZXNMSJ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C19H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h3-18H2,1-2H3
IUPAC name chemrof:IUPAC_name Methyl Stearate
Molecular formula chemrof:molecular_formula C19H38O2
Molecular mass chemrof:molecular_mass 298.511
Monoisotopic mass chemrof:monoisotopic_mass 298.28718
SMILES string chemrof:smiles_string CCCCCCCCCCCCCCCCCC(=O)OC

Known URLs

18

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=112-61-8 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:69188 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.628 enrich_references.pubchem_identifier_url
chemidplus chemidplus:0000112618 enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2047640 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=9418 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/8D4NXF3ZH7 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0034154 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.997F enrich_references.pubchem_identifier_url
knapsack knapsack:C00030759 enrich_references.chebi_xrefs
lipidmaps.org https://lipidmaps.org/databases/lmsd/LMFA07010474 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=4119 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C77478 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8201 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/22148193 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24029555 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/1363574 enrich_references.pubchem_identifier_url
Wikidata https://www.wikidata.org/wiki/Q27137527 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
ae183d8c-38e2-462a-b9a5-17fcbcc23b13 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
64855f1e-e1b7-4395-bd71-685c28f792cf Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
e5b54403-86b1-43fa-8ba6-5cdf10992544 Environmental → Air → Indoor EF 3.1 kg 4
18eea6e1-f669-47fa-b1a0-9dcf33c38dcf Environmental → Air → Long-term EF 3.1 kg 0
08b60fd1-1852-4298-b775-951f9e8e0a0b Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
4eba4d87-6d0c-4148-9609-b1ace4c2f631 Environmental → Air → Unknown EF 3.1 kg 4
4d1718b8-756d-4ef4-ab30-9a0889810e25 Environmental → Ground → Agricultural EF 3.1 kg 4
a14b4847-1671-4e3a-b0fb-21777db54fd3 Environmental → Ground → Non-agricultural EF 3.1 kg 4
610e78d8-a7fa-431f-aeed-3e4f517c4d1a Environmental → Ground → Unknown EF 3.1 kg 4
eb82084c-69ae-4d89-b42c-943abd2bcd23 Environmental → Water → Long-term EF 3.1 kg 0
c8d5b64c-99f3-493a-8310-d233795f5a4d Environmental → Water → Ocean EF 3.1 kg 4
c504a9b0-0df7-48c9-a384-3da899c644b3 Environmental → Water → Surface water EF 3.1 kg 4
ee2a3042-e485-4fa4-9d9d-40d63e16daef Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-2f17cce6caebb726",
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    {
      "@value": "Methyl Stearate",
      "@language": "en",
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        ],
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      }
    },
    {
      "@value": "Exceparl MS",
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    {
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    },
    {
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    {
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    {
      "@value": "Pastell M 180",
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    {
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