2,2'-oxybis(5,5-dimethyl-1,3,2-dioxaphosphinane) 2,2'-disulfide
fo-52073bbc4038b341
Identity
- Type
- Neutral molecule
- CAS
- 4090-51-1
- EC
- 223-829-1
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 53 across every transformer
Structure
Alternative labels
7- 1,3,2-Dioxaphosphorinane, 2,2′-oxybis[5,5-dimethyl-, 2,2′-disulfide
- 1,3-Propanediol, 2,2-dimethyl-, cyclic O,O-ester with thiopyrophosphoric acid ([(HO)2PS]2O)
- 1,3-Propanediol, 2,2-dimethyl-, cyclic O,O:O′,O′-diester with thiopyrophosphoric acid ([(HO)2PS]2O)
- 2,2′-Dioxa(5,5-dimethyl-1,3,2-dioxaphosphorinane 2,2′-disulfide)
- 2,2′-Oxybis[5,5-dimethyl-1,3,2-dioxaphosphorinane 2,2′-disulfide]
- Bis(neopentyl glycol) dithiopyrophosphate
- Thiopyrophosphoric acid ([(HO)2PS]2O), cyclic O,O:O′,O′-bis(2,2-dimethyltrimethylene) ester
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | GAUFKBQSTGCCOC-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C10H20O5P2S2/c1-9(2)5-11-16(18,12-6-9)15-17(19)13-7-10(3,4)8-14-17/h5-8H2,1-4H3 |
| IUPAC name chemrof:IUPAC_name | 2-[(5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)oxy]-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane, 2-[(5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphorinan-2-yl)oxy]-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphorinane, 2-[(5,5-dimethyl-2-thioxo-1,3,2lambda5-dioxaphosphinan-2-yl)oxy]-5,5-dimethyl-2-thioxo-1,3,2lambda5-dioxaphosphinane, 2-[(5,5-dimethyl-2-thioxo-1,3,2lambda5-dioxaphosphorinan-2-yl)oxy]-5,5-dimethyl-2-thioxo-1,3,2lambda5-dioxaphosphorinane |
| Molecular formula chemrof:molecular_formula | C10H20O5P2S2 |
| Molecular mass chemrof:molecular_mass | 346.347 |
| Monoisotopic mass chemrof:monoisotopic_mass | 346.022739 |
| SMILES string chemrof:smiles_string | CC1(COP(=S)(OC1)OP2(=S)OCC(CO2)(C)C)C |
Known URLs
8Where 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=4090-51-1 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.021.663 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID4063290 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/NZ339B63J4 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.543.870J | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J93.720G | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/77714 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q81990634 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| d8fab79c-41b7-4b73-b2fd-1df17bda227d | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 82fd69fb-ed47-41f2-83bd-c3d607bcbbec | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| c5a8230d-bc5d-4be0-888d-65cad97e0d45 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 10c10e5a-fd38-4502-a861-37ff183d387c | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| dc803a66-7599-42ee-8575-c9cca30a92cd | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 525d0358-db68-4253-8b91-1fb08a665eb7 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| b5ea41c3-0e95-4aa2-a859-ac7aa1ff5f01 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| b37cf766-b8ae-41d7-aab9-62a5ddcf6e40 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| a5821745-4004-43c2-be7d-b8f1778644f6 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 5c651cdf-2876-4d23-bb77-aed400cb8154 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| cf9a8079-1513-44e6-9594-850ff43432a2 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 0e6cfb61-7188-4fa9-b462-ad6c8841cc3d | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| ed1985aa-2ebd-4fb0-b7eb-aba628657afd | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (53 changes)
Full record
Flow object JSON
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}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
]
}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