Consensus flow list

(z)-dodec-8-enol

fo-e074521b14f2e901

Identity

Type
NeutralMolecule
CAS
40642-40-8
EC
255-019-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for (z)-dodec-8-enol

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

Alternative labels

7

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string YEQONIQGGSENJQ-PLNGDYQASA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h4-5,13H,2-3,6-12H2,1H3/b5-4-
Isomeric SMILES string chemrof:isomeric_smiles_string CCC/C=C\CCCCCCCO
IUPAC name chemrof:IUPAC_name (z)-dodec-8-enol
Molecular formula chemrof:molecular_formula C12H24O
Molecular mass chemrof:molecular_mass 184.323
Monoisotopic mass chemrof:monoisotopic_mass 184.182715
SMILES string chemrof:smiles_string CCCC=CCCCCCCCO

Known URLs

9

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=40642-40-8 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.050.001 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5035741 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/1I624SQJ40 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J692K enrich_references.pubchem_identifier_url
lipidmaps.org https://lipidmaps.org/databases/lmsd/LMFA05000045 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=3138 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/5283295 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27252452 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
417083e1-7f4d-4ecc-8031-798ee3e78724 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
9acc738b-a765-44fa-a4ae-c3ebfa1cf809 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
cdc676a8-aa15-4eac-b539-f14086aeacad Environmental → Air → Indoor EF 3.1 kg 2
22b769e0-ecf6-43f5-b15d-3fa2e6d5b911 Environmental → Air → Long-term EF 3.1 kg 0
c21f0e94-5c33-4667-8b40-f2cc38484932 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
baac7a44-ac24-4a77-9500-540c1f48ae42 Environmental → Air → Unknown EF 3.1 kg 2
4d1d90bc-be69-4ae2-8e00-62167634ce21 Environmental → Ground → Agricultural EF 3.1 kg 2
e65d32d2-6fc6-453f-b8a1-f45c87e175c1 Environmental → Ground → Non-agricultural EF 3.1 kg 2
ac84413d-2f3e-484f-b221-8205cd59bbfc Environmental → Ground → Unknown EF 3.1 kg 2
acb3ad51-9506-4a70-9fa2-08c840621214 Environmental → Water → Long-term EF 3.1 kg 0
60f69062-f652-4500-acac-eb7ea3cf5ec6 Environmental → Water → Ocean EF 3.1 kg 2
d5d12ab1-7e14-46d8-b4ec-d98aa036f9c6 Environmental → Water → Surface water EF 3.1 kg 2
30188838-cbdc-4575-b39a-c8f85c903a24 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
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