Brightway Flows 1.0
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Butyl Butyrate

fo-cadbbe5113817a00

Identity

Type
Neutral molecule
CAS
109-21-7
EC
203-656-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Butyl Butyrate

Alternative labels

10

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string XUPYJHCZDLZNFP-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3
IUPAC name chemrof:IUPAC_name Butyl Butyrate
Molecular formula chemrof:molecular_formula C8H16O2
Molecular mass chemrof:molecular_mass 144.214
Monoisotopic mass chemrof:monoisotopic_mass 144.11503
SMILES string chemrof:smiles_string CCCCOC(=O)CCC

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=109-21-7 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:87429 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.325 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7041702 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8458 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/butyl-butyrate enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/1BHV00T1M4 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0039620 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.876B enrich_references.pubchem_identifier_url
lipidmaps.org https://lipidmaps.org/databases/lmsd/LMFA07010418 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=4063 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7983 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3082 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/21892724 enrich_references.chebi_xrefs
reaxys reaxys:1747101 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q2212471 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Butyl_butyrate enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
544fc353-2893-4d30-942a-42d5a302ffa0 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
68ce1237-52ee-42c5-a6f7-532a39438eac Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
1cbbafcd-1be5-40b2-b981-b2d1ab3b42fe Environmental → Air → Indoor EF 3.1 kg 2
83e39832-b68b-4721-ad52-85f5297db67f Environmental → Air → Long-term EF 3.1 kg 0
b7c3e7ff-21f8-4423-930f-fec5b602a911 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
a9efcb46-ef8c-4c02-8df5-467c405abb6f Environmental → Air → Unknown EF 3.1 kg 2
f4751c3c-b634-426f-a86d-6b4f57b3054c Environmental → Ground → Agricultural EF 3.1 kg 2
1f5e6cd5-a27a-40c3-aa33-092fb3846317 Environmental → Ground → Non-agricultural EF 3.1 kg 2
50c92a65-1853-4d12-8e15-dc5358dd9b6e Environmental → Ground → Unknown EF 3.1 kg 2
09429867-1792-4ae6-9b4b-db90f06c5ebb Environmental → Water → Long-term EF 3.1 kg 0
858191a2-ce8c-4739-ab7a-eb7026647ce5 Environmental → Water → Ocean EF 3.1 kg 2
beea742d-b571-460d-a44c-e4b1a0b8d2ee Environmental → Water → Surface water EF 3.1 kg 2
71fa05b1-fb58-4461-b2ab-b2d9516865bc Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
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}

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You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

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