Consensus flow list

Propylene glycol diacetate

fo-115611a3c19eb817

Identity

Type
Neutral molecule
CAS
623-84-7
EC
210-817-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Propylene glycol diacetate

Alternative labels

16

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string MLHOXUWWKVQEJB-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H12O4/c1-5(11-7(3)9)4-10-6(2)8/h5H,4H2,1-3H3
IUPAC name chemrof:IUPAC_name Propylene glycol diacetate
Molecular formula chemrof:molecular_formula C7H12O4
Molecular mass chemrof:molecular_mass 160.169
Monoisotopic mass chemrof:monoisotopic_mass 160.073559, 160.07356
SMILES string chemrof:smiles_string CC(=O)OCC(C)OC(C)=O

Known URLs

19

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=623-84-7 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:173692 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.009.834 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0943 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.11698.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9044827 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=75843 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2105367 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/propyleneglycol-diacetate enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/5Z492UNF9O enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0041605 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J50.791A enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/D05635 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/D05635 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=49442 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C77492 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/12198 enrich_references.pubchem_compound
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/1427008 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27263082 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
04b8730e-bcc9-4493-a252-3104bd7a5469 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
b8272f67-fa57-418c-b002-3c3c6d8c7fd4 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
4d99bf56-be01-4dc6-9b95-cbf15dd92d45 Environmental → Air → Indoor EF 3.1 kg 2
253cd010-8dd2-4f72-b1f7-f945d556cff5 Environmental → Air → Long-term EF 3.1 kg 0
c3af6050-a843-49f2-bc78-e0b9801e6f4d Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
55a2516a-00b7-4dac-975d-6cfbe9b2c6d7 Environmental → Air → Unknown EF 3.1 kg 2
ffe1489a-1be3-4a3a-8e75-23482c2b8f8d Environmental → Ground → Agricultural EF 3.1 kg 2
1f0dabff-c403-4517-ae95-8c47e342b2d5 Environmental → Ground → Non-agricultural EF 3.1 kg 2
b7a120b4-6310-426e-b2d8-b9aaa9f3031e Environmental → Ground → Unknown EF 3.1 kg 2
96c7e28a-ae71-4223-9a76-e42ddeed1df8 Environmental → Water → Long-term EF 3.1 kg 0
7af0c84e-9118-42cf-93d1-876a3d3c3fb4 Environmental → Water → Ocean EF 3.1 kg 2
61da0f73-5fba-4eb1-8e56-08af97f3c6e2 Environmental → Water → Surface water EF 3.1 kg 2
64c69263-272e-4046-91d4-5389c5b870ea Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON 
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