Dodecanedioic Acid
fo-c2fee99f72f59025
Identity
- Type
- Neutral molecule
- CAS
- 693-23-2
- EC
- 211-746-3
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
8- 1,10-decanedicarboxylic acid
- 1,10-dicarboxydecane
- 1,12-dodecanedioic acid
- Corfree M 2
- decamethylenedicarboxylic acid
- n-Dodecane-α,ω-dioic acid
- n-Dodecanedioic acid
- SL-AH
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | TVIDDXQYHWJXFK-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C12H22O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h1-10H2,(H,13,14)(H,15,16) |
| IUPAC name chemrof:IUPAC_name | Dodecanedioic Acid |
| Molecular formula chemrof:molecular_formula | C12H22O4 |
| Molecular mass chemrof:molecular_mass | 230.304 |
| Monoisotopic mass chemrof:monoisotopic_mass | 230.151809, 230.15181 |
| SMILES string chemrof:smiles_string | O=C(O)CCCCCCCCCCC(=O)O |
Known URLs
35Where 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 |
|---|---|---|
| agr | agr:IND44425877 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=53037-60-8 | enrich_references.pubchem_identifier_url |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=693-23-2 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:4676 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.010.680 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID3027297 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=400242 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3182356 | enrich_references.pubchem_identifier_url |
| gmelin | gmelin:261693 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/978YU42Q6I | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0000623 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J43.533C | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C02678 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C02678 | enrich_references.pubchem_identifier_url |
| LIPID MAPS | https://www.lipidmaps.org/databases/lmsd/LMFA01170009 | enrich_references.chebi_xrefs |
| lipidmaps.org | https://lipidmaps.org/databases/lmsd/LMFA01170009 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=1933 | enrich_references.pubchem_identifier_url |
| MetaCyc | https://metacyc.org/compound?orgid=META&id=CPD-10670 | enrich_references.chebi_xrefs |
| patent | patent:DE102007054497 | enrich_references.chebi_xrefs |
| patent | patent:EP2389349 | enrich_references.chebi_xrefs |
| patent | patent:EP2407444 | enrich_references.chebi_xrefs |
| patent | patent:KR20110125221 | enrich_references.chebi_xrefs |
| patent | patent:WO2010085712 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/12736 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=130223 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/11544559 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/19222421 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/19428350 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/22242741 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/2302418 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24166667 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/9591306 | enrich_references.chebi_xrefs |
| reaxys | reaxys:1782580 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q5287812 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Dodecanedioic_acid | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| eba37c7c-30be-4566-b923-8c26c3c24928 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 52544e48-db12-4834-981d-76c43cdc06ed | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 3a4fc14d-1c4a-4ed0-87fb-4fd3c46fc8ea | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| f16e7fed-0ce3-48b3-b742-f8c32274009f | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 9cdef73f-eef4-4482-8671-ca8e5cf36031 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 47b058a0-d57e-4af5-bc30-9bffe986b5fe | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 426c5647-5b80-48c1-bd72-af3d7cb32e3c | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 68fd16b0-5789-4a57-a4d7-87f532791abd | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 244130f8-0e6d-4bb3-a8d3-cbaaab18ec90 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 5b8ed2b6-7a92-4256-96e3-e060707de59c | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 797b4098-aa57-4a4e-9a30-ca33081eb821 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| aafb7909-db7a-4859-b134-ec0ea232d0d8 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 06bad863-64b3-4fef-8505-485bd4d467af | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (56 changes)
Full record
Flow object JSON
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}Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works