Methyl Lactate
fo-8597d24e1f7e67cc
Identity
- Type
- Neutral molecule
- CAS
- 547-64-8
- EC
- 208-930-0
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 59 across every transformer
Structure
Alternative labels
8- DL-methyl lactate
- methyl alpha-hydroxypropionate
- methyl DL-lactate
- methyl RS-lactate
- Methyl α-hydroxypropionate
- Propanoic acid, 2-hydroxy-, methyl ester
- rac-methyl 2-hydroxypropanoate
- RS-methyl lactate
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | LPEKGGXMPWTOCB-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3 |
| IUPAC name chemrof:IUPAC_name | Methyl Lactate |
| Molecular formula chemrof:molecular_formula | C4H8O3 |
| Molecular mass chemrof:molecular_mass | 104.105 |
| Monoisotopic mass chemrof:monoisotopic_mass | 104.04734, 104.047344 |
| SMILES string chemrof:smiles_string | COC(=O)C(C)O |
Known URLs
21Where 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=547-64-8 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:73641 | enrich_references.chebi_id_link |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:83221 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.008.119 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.016.773 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID0027197 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=406248 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3183351 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/H10S91526X | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0254599 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.650F | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=66597 | enrich_references.pubchem_identifier_url |
| patent | patent:US2013079547 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/11040 | enrich_references.pubchem_compound |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/20572727 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/22669348 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23496094 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23776010 | enrich_references.chebi_xrefs |
| reaxys | reaxys:1720586 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q11370589 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Methyl_lactate | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 87e53758-17d6-40a9-b8c1-dcee1d78a27f | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 7068ccbf-9303-4a94-b63c-e8da4fb18afb | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| fd4e89d4-8dec-42c7-adf6-c59ac5771241 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 035c8e86-9c9e-4546-98bb-89001593416f | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 09c767e5-1085-4abd-a5a5-00df697e9b7f | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| ec215c53-d17a-4682-b805-4eee5e6d7db7 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 02188410-25b0-4fdd-9d3c-caf8e79ca614 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 229008da-2d10-4533-8b59-0d6463debdb2 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 48cd0ce0-3bbd-4d63-9550-ae4adaeeaeb6 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 7a8f7254-cc11-43d7-ba9c-1027278ba02b | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 2eb3c169-eb79-4abc-9f22-1cc6e164c30c | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 3ff7c9bd-986e-4406-b378-9b8ea130abc8 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| dabed66b-459e-44aa-b6b6-db02bbeb7499 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (59 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