Dimethoxane
fo-6e1621be0614cd29
Identity
- Type
- Neutral molecule
- CAS
- 828-00-2
- EC
- 212-579-9
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
18- (2,6-Dimethyl-1,3-dioxan-4-yl) acetate
- 1,3-Dioxan-4-ol, 2,6-dimethyl-, 4-acetate
- 1,3-Dioxan-4-ol, 2,6-dimethyl-, acetate
- 2,4-Dimethyl-6-acetoxy-1,3-dioxane
- 2,4-Dimethyl-6-m-dioxanyl acetate
- 2,6-Dimethyl-1,3-dioxan-4-yl acetate
- 2,6-Dimethyl-m-dioxan-4-ol acetate
- 2,6-Dimethyl-m-dioxan-4-yl acetate
- 6-Acetoxy-2,4-dimethyl-1,3-dioxane
- 6-Acetoxy-2,4-dimethyl-m-dioxane
- Acetomethoxane
- Bioban DXN
- Dioxin (bactericide)
- Dioxin CO
- DXN
- Giv Gard DXN
- Giv Gard DXN-CO
- m-Dioxan-4-ol, 2,6-dimethyl-, acetate
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | PHMNXPYGVPEQSJ-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C8H14O4/c1-5-4-8(11-6(2)9)12-7(3)10-5/h5,7-8H,4H2,1-3H3 |
| IUPAC name chemrof:IUPAC_name | (2,6-Dimethyl-1,3-dioxan-4-yl) acetate |
| Molecular formula chemrof:molecular_formula | C8H14O4 |
| Molecular mass chemrof:molecular_mass | 174.196 |
| Monoisotopic mass chemrof:monoisotopic_mass | 174.089209, 174.08921 |
| SMILES string chemrof:smiles_string | CC(=O)OC1CC(C)OC(C)O1 |
Known URLs
11Where 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=828-00-2 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82450 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.011.436 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID6020480 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1484947 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/S0859MSI8I | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J39.122K | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C19402 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C19402 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/13232 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q26840787 | enrich_references.pubchem_identifier_url |
Elementary flows
14| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 172ad9f8-6556-11dd-ad8b-0800200c9a66 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-9e8b-0050c2490048 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| ea098f06-a229-48b7-bbac-0b92482f5df0 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-9639-0050c2490048 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 08a91e70-3ddc-11dd-9e8c-0050c2490048 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-9638-0050c2490048 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-9636-0050c2490048 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-9e90-0050c2490048 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-9637-0050c2490048 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-9e8e-0050c2490048 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 08a91e70-3ddc-11dd-9e91-0050c2490048 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-9e8d-0050c2490048 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 33b447ab988d64eca0248f4ebbe10e5f58472f73 | Environmental → Water → Unconfined aquifer | stepwise algorithm addition | kg | 0 |
| 08a91e70-3ddc-11dd-9e8f-0050c2490048 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (56 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