2,2'-[oxybis(methylene)]bis(2-ethylpropane-1,3-diol)
fo-5d8abd6dfc9e0b5a
Identity
- Type
- Neutral molecule
- CAS
- 23235-61-2
- EC
- 245-509-0
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 53 across every transformer
Structure
Alternative labels
10- 1,3-Propanediol, 2,2′-(oxydimethylene)bis[2-ethyl-
- 1,3-Propanediol, 2,2′-[oxybis(methylene)]bis[2-ethyl-
- 2,2-Bis(dimethylol)dibutyl ether
- 2,2′-(Oxydimethylene)bis(2-ethyl-1,3-propanediol)
- 2,2′-[Oxybis(methylene)]bis[2-ethyl-1,3-propanediol]
- 3,3,7,7-Tetrakis(hydroxymethyl)-5-oxanonane
- Bis(1,1-dimethylolpropyl)dimethyl ether
- Bistrimethylolpropane
- Di-TMP
- Ditrimethylolpropane
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | WMYINDVYGQKYMI-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C12H26O5/c1-3-11(5-13,6-14)9-17-10-12(4-2,7-15)8-16/h13-16H,3-10H2,1-2H3 |
| IUPAC name chemrof:IUPAC_name | 2,2'-[oxybis(methylene)]bis(2-ethylpropane-1,3-diol) |
| Molecular formula chemrof:molecular_formula | C12H26O5 |
| Molecular mass chemrof:molecular_mass | 250.335 |
| Monoisotopic mass chemrof:monoisotopic_mass | 250.178024 |
| SMILES string chemrof:smiles_string | CCC(CO)(CO)COCC(CC)(CO)CO |
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=23235-61-2 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.041.357 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID9044879 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3188200 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/53E6MN32Z5 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J60.718E | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/90038 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q22829780 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 15c29606-b8af-41be-b8fa-b60db4dda799 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| cdf3c575-6f80-428f-bb3f-504ddcfec731 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| f5604ef2-e4b4-4f09-a7a5-9ca1afc589e4 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| bf4c6c95-56b1-4dfe-bdac-971a34904a46 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 8c79b439-89d5-4443-8144-cac2f9e42a34 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 056eb9b5-064e-4bac-bb83-2476f63bd194 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 1ff13473-3f5c-4e7d-a637-455d1a6016c2 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| e0641a7c-9bfa-47c4-80ee-2f020fe0c7f3 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 5396924a-7166-41b2-b024-eb1a452882b9 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| e7050e8c-d2ea-4fe3-9cde-9f8ae0998214 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 34672d48-41af-44ff-8e78-dae43690ec43 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| d9225362-4c13-4384-9365-2d6ca8269ad8 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| faf9671d-b574-4061-9148-b60e06f37d67 | 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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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