Consensus flow list

Methyl (3-oxo-2-pentylcyclopent-1-en-1-yl)acetate

fo-316cab7ab9d52ddf

Identity

Type
Neutral molecule
CAS
24863-70-5
EC
431-410-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Methyl (3-oxo-2-pentylcyclopent-1-en-1-yl)acetate

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string GJYFXPRHTPSOMM-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C13H20O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h3-9H2,1-2H3
IUPAC name chemrof:IUPAC_name Methyl (3-oxo-2-pentylcyclopent-1-en-1-yl)acetate
Molecular formula chemrof:molecular_formula C13H20O3
Molecular mass chemrof:molecular_mass 224.3
Monoisotopic mass chemrof:monoisotopic_mass 224.141244
SMILES string chemrof:smiles_string CCCCCC1=C(CC(=O)OC)CCC1=O

Known URLs

6

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=24863-70-5 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.112.109 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID10179574 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J144.669J enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/90634 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q83050108 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
9cd7e428-be1f-41fd-9fe2-83650638d200 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
56e336d7-4f72-4782-b57f-2d9ea39cee38 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
359a2023-c7ac-47a3-b6e9-8a295ca3643f Environmental → Air → Indoor EF 3.1 kg 4
8df6f69e-e2c2-4768-ab77-a81c0ca88a77 Environmental → Air → Long-term EF 3.1 kg 0
be94d149-e3dc-4a8d-96ac-08c5cea08f69 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
7b0c23c2-c9f1-4a4f-9b35-027ed5797bd2 Environmental → Air → Unknown EF 3.1 kg 4
e3072e37-b903-4024-83b8-14f0893de0f8 Environmental → Ground → Agricultural EF 3.1 kg 4
ec66f923-7846-45f9-ba29-7acdd86806e1 Environmental → Ground → Non-agricultural EF 3.1 kg 4
5c235b4f-3abf-445e-a148-a65a4c293cd2 Environmental → Ground → Unknown EF 3.1 kg 4
4e3c9cd9-1ab0-4430-a932-533c0b115904 Environmental → Water → Long-term EF 3.1 kg 0
c756c7f8-19d4-444e-9468-3f880e2495e5 Environmental → Water → Ocean EF 3.1 kg 4
544ff69e-a5a9-49a2-860a-5fa2e32b32f5 Environmental → Water → Surface water EF 3.1 kg 4
fa11cafc-253e-4644-ad27-0c164ea1281f Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
{
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  "altLabel": [
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      "@value": "1-Cyclopentene-1-acetic acid, 3-oxo-2-pentyl-, methyl ester",
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}

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