Diglyme
fo-eb6de7a596ca0601
Identity
- Type
- Neutral molecule
- CAS
- 111-96-6
- EC
- 203-924-4
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 58 across every transformer
Structure
What it is used for
1
Roles, not types. A substance bears as many as apply — sulfluramid is an
insecticide and an acaricide — and each is a class ChEBI curates, asserted
with ChEBI’s own has role. The narrow ones publish the broad
ones alongside them, so a substance filed as a herbicide is a pesticide
here too. See agricultural
chemicals for what the axis is and which classes are published.
| Role | Definition | Evidence |
|---|---|---|
| environmental contaminant CHEBI:78298 | Any minor or unwanted substance introduced into the environment that can have undesired effects. | ChEBI |
Alternative labels
24- (2-Methoxyethyl) ether
- 1,1′-Oxybis[2-methoxyethane]
- 1,5-Dimethoxy-3-oxapentane
- 1-(2-Methoxyethoxy)-2-methoxyethane
- 1-methoxy-2-(2-methoxyethoxy)ethane
- 2,2'-oxybis(1-methoxyethane)
- 2,2'-oxybis[1-(methyloxy)ethane]
- 2,5,8-trioxanonane
- 2-(2-Methoxyethoxy)-1-methoxyethane
- bis(2-methoxyethyl) ether
- CH3-O-CH2-CH2-O-CH2-CH2-O-CH3
- di(2-methoxyethyl) ether
- diethylene glycol dimethyl ether
- Dimethyl carbitol
- Dimethyl digol
- DMDG
- Ethane, 1,1′-oxybis[2-methoxy-
- Ethanol, 2,2′-oxybis-, dimethyl ether
- Ether, bis(2-methoxyethyl)
- Glyme 2
- Glyme 3
- Hisolve MDM
- Methyl diglyme
- Poly-Solv
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | SBZXBUIDTXKZTM-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3 |
| IUPAC name chemrof:IUPAC_name | Diglyme |
| Molecular formula chemrof:molecular_formula | C6H14O3 |
| Molecular mass chemrof:molecular_mass | 134.175 |
| Monoisotopic mass chemrof:monoisotopic_mass | 134.09429, 134.094294 |
| SMILES string chemrof:smiles_string | COCCOCCOC |
Known URLs
25Where 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=111-96-6 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=248243-66-5 | enrich_references.pubchem_identifier_url |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:46784 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.003.568 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1357 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID1024621 | enrich_references.pubchem_identifier_url |
| DrugBank | https://go.drugbank.com/drugs/DB02935 | enrich_references.chebi_xrefs |
| drugbank.ca | https://www.drugbank.ca/drugs/DB02935 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=59726 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1234162 | enrich_references.pubchem_identifier_url |
| gmelin | gmelin:26843 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/M4BH3X0MVZ | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0251284 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.118G | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=56700 | enrich_references.pubchem_identifier_url |
| pdb-ccd | pdb-ccd:M2M | enrich_references.chebi_xrefs |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL1234162 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/8150 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#1993 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#2252 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/12003540 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23552701 | enrich_references.chebi_xrefs |
| reaxys | reaxys:1736101 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q865952 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Diglyme | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| dfc7d0a8-c283-4435-9047-04cab3d08bc4 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 77ff3099-8ab1-409f-9f74-2c80ee379759 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| d5653b5a-7428-4d2e-8e2b-dc7946558030 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 641773f6-e785-43ae-b408-feef276f5347 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| f6a9138c-aa9d-410d-9c93-e3a3d4ce0048 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 1c636d1a-cc89-4ef2-8b45-0c771cb591ce | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 6a86297f-7c4b-450a-aa7e-8d4dbc40c4e9 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 9ef77bbc-dff8-4a6e-bcec-16357377a5ea | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 3237b197-f506-46eb-9278-a7d30def2c54 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 07281a36-9dc5-4686-8eb9-0f3a7bcb1a77 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 014ee4a5-c32f-4733-a429-0085bc63fa34 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 2a23f0ac-2e96-4f0e-9577-a2ca6c616e53 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| fe591aa3-35ec-4427-b7e7-34b85d913794 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (58 changes)
Full record
Flow object JSON
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{
"@value": "diethylene glycol dimethyl ether",
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{
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{
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{
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{
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{
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{
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{
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{
"@value": "Hisolve MDM",
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{
"@value": "Methyl diglyme",
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{
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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