Consensus flow list

Identity

Type
Neutral molecule
CAS
131766-73-9
EC
412-450-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for A Mixture Of: Trans-4-acetoxy-4-methyl-2-propyl-tetrahydro-2h-pyran; Cis-4-acetoxy-4-methyl-2-propyl-tetrahydro-2h-pyran

Alternative labels

5

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string GURYYNWDVKXZAT-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C11H20O3/c1-4-5-10-8-11(3,6-7-13-10)14-9(2)12/h10H,4-8H2,1-3H3
IUPAC name chemrof:IUPAC_name (4-methyl-2-propyloxan-4-yl) acetate
Molecular formula chemrof:molecular_formula C11H20O3
Molecular mass chemrof:molecular_mass 200.278
Monoisotopic mass chemrof:monoisotopic_mass 200.14124, 200.141244
SMILES string chemrof:smiles_string CCCC1CC(C)(OC(C)=O)CCO1

Known URLs

11

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=131766-73-9 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:174007 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.101.178 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.131.636 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.23349556.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID80888944 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0036029 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.052.278J enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=47159 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/57483300 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q82868722 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
9c198706-19af-4164-a85d-bb85399a2fe2 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
4932087f-ef28-4f40-98c3-f3f853fa6cf8 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
c2a6d9cc-b92e-4737-88bc-e9dd53db1bc7 Environmental → Air → Indoor EF 3.1 kg 2
8ab5397a-6768-4439-b114-909552121e93 Environmental → Air → Long-term EF 3.1 kg 0
b7db2cbd-cc1a-42ab-b645-06e48095d54d Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
803c80b9-3129-4b98-94d7-a07effd7b082 Environmental → Air → Unknown EF 3.1 kg 2
4e8b354e-6cd3-4d7e-a978-6676a9d82a72 Environmental → Ground → Agricultural EF 3.1 kg 2
1875a2b7-2afe-43a0-8708-4a248798f511 Environmental → Ground → Non-agricultural EF 3.1 kg 2
fabbe79f-c9b6-40ee-8136-916af7863a56 Environmental → Ground → Unknown EF 3.1 kg 2
bacadc18-a3ed-4a67-b7de-7147ed9b37a1 Environmental → Water → Long-term EF 3.1 kg 0
3249f5b2-354a-4eec-853d-f4740dcdd845 Environmental → Water → Ocean EF 3.1 kg 2
9aa64273-718e-4404-bdd3-caf81c3fe339 Environmental → Water → Surface water EF 3.1 kg 2
88738984-a303-417b-ab46-a37713fa9d2e 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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