Dimethyl Malonate
fo-937b139b961ac2b0
Identity
- Type
- Neutral molecule
- CAS
- 108-59-8
- EC
- 203-597-8
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
Alternative labels
6- Dimethyl 1,3-propanedioate
- Dimethyl propanedioate
- Malonic acid, dimethyl ester
- Methyl malonate
- Propanedioic acid, 1,3-dimethyl ester
- Propanedioic acid, dimethyl ester
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | BEPAFCGSDWSTEL-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C5H8O4/c1-8-4(6)3-5(7)9-2/h3H2,1-2H3 |
| IUPAC name chemrof:IUPAC_name | Dimethyl Malonate |
| Molecular formula chemrof:molecular_formula | C5H8O4 |
| Molecular mass chemrof:molecular_mass | 132.115 |
| Monoisotopic mass chemrof:monoisotopic_mass | 132.042259 |
| SMILES string chemrof:smiles_string | COC(=O)CC(=O)OC |
Known URLs
12Where 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=108-59-8 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.003.271 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID4029145 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=620046 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1986332 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/EM8Y79998C | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0251386 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.499K | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=125983 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/7943 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q4263082 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Dimethyl_malonate | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| affd890f-1aec-4ce2-ad32-6fbcb193fd39 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 658ab93a-edff-463e-8137-6a3239281129 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| d59e7aaf-863b-4c5f-98df-c0b2aaff6fd6 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 77f8bde2-d1a2-494b-8fb5-82de98317aae | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| e1acaac6-5ff2-4b5b-af5f-230b6d3552b2 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| f1c87a63-e96f-4837-9579-c0f8cae0b5a8 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| d2189547-d36e-41af-9583-ba7d0b66fce4 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 878c153f-afcc-4938-84a6-09489a0ab7f5 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| e02db9ff-8b2b-41da-a5f1-2572a3cdfc50 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 710d76a7-1bb8-4c9e-a54f-265ae87afabe | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 8fcab943-ac49-4ae1-a41a-2d6dc8fde346 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 8bb0a8ef-61f0-4e92-89c6-5a902fc2466f | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 0c324492-19d8-46e7-9ef7-ceb4aa119e4c | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (57 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