3,6-dimethyl-1,4-dioxane-2,5-dione
fo-e28f009b328f5619
Identity
- Type
- Neutral molecule
- CAS
- 4511-42-6
- EC
- 224-832-0
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.
Alternative labels
19- (-)-L-Dilactide
- (3S,6S)-3,6-Dimethyl-1,4-dioxane-2,5-dione
- (S,S)-3,6-Dimethyl-1,4-dioxane-2,5-dione
- 1,4-Dioxane-2,5-dione, 3,6-dimethyl-, (3S,5S)-
- 1,4-Dioxane-2,5-dione, 3,6-dimethyl-, (3S,6S)-
- 1,4-Dioxane-2,5-dione, 3,6-dimethyl-, (3S-cis)-
- Esun LA 99
- L,L-Dilactide
- L-(-)-Lactide
- L-Dilactide
- L-Lactide
- LL-Lactide
- Lumilact L
- p-Dioxane-2,5-dione, 3,6-dimethyl-, L-
- Purac TL
- Puralact B 3
- PuraLact L
- Purasorb L
- Scolat AL
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | JJTUDXZGHPGLLC-IMJSIDKUSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C6H8O4/c1-3-5(7)10-4(2)6(8)9-3/h3-4H,1-2H3/t3-,4-/m0/s1 |
| Isomeric SMILES string chemrof:isomeric_smiles_string | C[C@@H]1OC(=O)[C@H](C)OC1=O |
| IUPAC name chemrof:IUPAC_name | (3S,6S)-3,6-Dimethyl-1,4-dioxane-2,5-dione |
| Molecular formula chemrof:molecular_formula | C6H8O4 |
| Molecular mass chemrof:molecular_mass | 144.126 |
| Monoisotopic mass chemrof:monoisotopic_mass | 144.042259 |
| SMILES string chemrof:smiles_string | CC1OC(=O)C(C)OC1=O |
Known URLs
9Where 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=33135-50-1 | enrich_references.pubchem_identifier_url |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=4511-42-6 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.022.576 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID5049655 | enrich_references.pubchem_identifier_url |
| drugbank.ca | https://www.drugbank.ca/drugs/DB19115 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/IJ13TO4NO1 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J150.826A | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/107983 | enrich_references.pubchem_compound |
| wikidata.org | https://www.wikidata.org/wiki/Q24757824 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 5598f1b4-4429-48a7-ae96-33abdda43167 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 0bbc48d2-0bf8-4684-b03a-184133a01c7c | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 1c1f67b6-b7f9-4b23-a41a-bbd732b8f41f | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 7a0c89bd-af86-4a9c-8369-ff1c9ee1b2c7 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| b3461177-7f92-4ca1-80c3-17a821a71bc3 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 9ae56956-b3f7-4bfe-bd48-2ab4270ac841 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| d92b9b43-7930-44c5-b69d-9e6ca789c645 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 955c10b0-07cd-4408-b20c-e9568035789d | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| e078a6ea-c14e-422e-ae54-3ff60ca5301f | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| c22c2e2a-bfe5-4aa4-96e4-452ee9405313 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 31a0117e-c8e1-4e7d-ac9b-dac56b218da2 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| def10e78-ff5c-4efa-ab3e-a362060ef034 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 160ecb11-71e5-48cd-8d99-6f6fe8238b55 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (55 changes)
Full record
Flow object JSON
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