Butyl lactate
fo-161fc64ca8ce9b25
Identity
- Type
- Neutral molecule
- CAS
- 138-22-7
- EC
- 205-316-4
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 59 across every transformer
Structure
Alternative labels
12- (±)-n-Butyl lactate
- 2-Hydroxypropanoic acid butyl ester
- 2-Hydroxypropionic acid 1-butyl ester
- 2-propanoic Acid
- butyl 2-hydroxypropanoate
- Butyl 2-hydroxypropionate
- Butyl α-hydroxypropionate
- Lactic acid, butyl ester
- n-Butyl lactate
- Propanoic acid, 2-hydroxy-, butyl ester
- Purasolv BL
- α-Hydroxypropionic acid butyl ester
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | MRABAEUHTLLEML-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C7H14O3/c1-3-4-5-10-7(9)6(2)8/h6,8H,3-5H2,1-2H3 |
| IUPAC name chemrof:IUPAC_name | Butyl lactate |
| Molecular formula chemrof:molecular_formula | C7H14O3 |
| Molecular mass chemrof:molecular_mass | 146.186 |
| Monoisotopic mass chemrof:monoisotopic_mass | 146.09429, 146.094294 |
| SMILES string chemrof:smiles_string | CCCCOC(=O)C(C)O |
Known URLs
18Where 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=138-22-7 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=475096-62-9 | enrich_references.pubchem_identifier_url |
| cdc.gov | https://www.cdc.gov/niosh-rtecs/OD3D6AA8.html | enrich_references.pubchem_identifier_url |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:169137 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.004.834 | enrich_references.pubchem_identifier_url |
| ChemSpider | https://www.chemspider.com/Chemical-Structure.8409.html | enrich_references.chebi_xrefs |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID7042196 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=6533 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3183988 | enrich_references.pubchem_identifier_url |
| femaflavor.org | https://www.femaflavor.org/flavor-library/butyl-lactate | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/0UI63W814U | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0040254 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J39.933G | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=48942 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/8738 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#1993 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q11370588 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/N-Butyl_lactate | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| d6f8f010-7341-11dd-ad8b-0800200c9a66 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 041fab10-6556-11dd-ad8b-0800200c9a66 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| ea3e75db-2578-488b-8241-bb4937cdafac | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 041fab09-6556-11dd-ad8b-0800200c9a66 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 041fab0d-6556-11dd-ad8b-0800200c9a66 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 041fab08-6556-11dd-ad8b-0800200c9a66 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 041fab0b-6556-11dd-ad8b-0800200c9a66 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 041fab0c-6556-11dd-ad8b-0800200c9a66 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 041fab0f-6556-11dd-ad8b-0800200c9a66 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 041fab12-6556-11dd-ad8b-0800200c9a66 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 041fab0e-6556-11dd-ad8b-0800200c9a66 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 041fab0a-6556-11dd-ad8b-0800200c9a66 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 041fab11-6556-11dd-ad8b-0800200c9a66 | 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