Consensus flow list

(3z)-hex-3-en-1-yl Cyclopropanecarboxylate

fo-de16e5a708496ab8

Identity

Type
NeutralMolecule
CAS
188570-78-7
EC
425-200-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for (3z)-hex-3-en-1-yl Cyclopropanecarboxylate

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string AQALQDMWXUIMHX-ARJAWSKDSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H16O2/c1-2-3-4-5-8-12-10(11)9-6-7-9/h3-4,9H,2,5-8H2,1H3/b4-3-
Isomeric SMILES string chemrof:isomeric_smiles_string CC/C=C\CCOC(=O)C1CC1
IUPAC name chemrof:IUPAC_name (3z)-hex-3-en-1-yl Cyclopropanecarboxylate
Molecular formula chemrof:molecular_formula C10H16O2
Molecular mass chemrof:molecular_mass 168.236
Monoisotopic mass chemrof:monoisotopic_mass 168.11503
SMILES string chemrof:smiles_string CCC=CCCOC(=O)C1CC1

Known URLs

7

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=188570-78-7 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.102.366 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.166.702 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4051825 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.402.062B enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/44152604 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q76545655 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
67216d75-3128-42c4-9b85-919c086565ad Environmental → Air → Aircraft cruise height EF 3.1 kg 2
ab4df7f0-2114-4b28-8bcd-584b05caefe3 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
cf92ddee-52e0-4604-81f4-228743323ed8 Environmental → Air → Indoor EF 3.1 kg 2
9745b92e-f511-48ed-b7d1-9cfc2ee33df8 Environmental → Air → Long-term EF 3.1 kg 0
bd1a9905-d0d2-40d1-b15c-d177f206bf57 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
9371ac23-19b3-4eb6-bbcd-9e3e1f2c9b72 Environmental → Air → Unknown EF 3.1 kg 2
f4867a2c-9e65-4b5d-8d4a-492fb7c87913 Environmental → Ground → Agricultural EF 3.1 kg 2
7a596b7c-f042-46bc-8765-cf5fa43de299 Environmental → Ground → Non-agricultural EF 3.1 kg 2
ad2a21c4-83e1-49a5-9a7d-e21ea29b20fc Environmental → Ground → Unknown EF 3.1 kg 2
c75a6996-3c0a-4fc3-b447-25c5f8906fb9 Environmental → Water → Long-term EF 3.1 kg 0
2c9ed4fb-b19b-430a-90af-68e0786ecd2f Environmental → Water → Ocean EF 3.1 kg 2
7128babe-5b3b-4ef2-872d-9d93083c2b94 Environmental → Water → Surface water EF 3.1 kg 2
835ad619-b846-4506-a056-2df939fd916a 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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