Pentaerythritol, Propoxylated
fo-da9f822cac579c07
Identity
- Type
- Neutral molecule
- CAS
- 9051-49-4
- EC
- 500-030-9
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 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
25- Actcol PE 450
- Bypolet 45
- EL 410NE
- Excenol 410NE
- K-Pure 4321
- Kukdo PN 400
- Pentaerythritol polyoxypropylene ether
- Pentaerythritol propoxylate
- Pentaerythritol-initiated polypropylene glycol
- Pentaerythritol-propylene oxide polymer
- Pluracol PeP 450
- Pluracol PeP 550
- Pluracol PeP 650
- PNT-F 40
- Poly[oxy(methyl-1,2-ethanediyl)], α-hydro-ω-hydroxy-, ether with 2,2-bis(hydroxymethyl)-1,3-propanediol (4:1)
- Polydo PN 400
- Polypropylene glycol ether with pentaerythritol
- Polypropylene glycol pentaerythritol ether
- Polypropylene glycol tetraether with pentaerythritol
- Propoxylated pentaerythritol
- Sannix EP 900
- Sannix HD 402
- Simulsol PTKP
- Simulsol PTZE
- Tetrol
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | AZEOMCMPNPXNDQ-UHFFFAOYSA-N, ZCHGODLGROULLT-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C17H36O8/c18-5-1-9-22-13-17(14-23-10-2-6-19,15-24-11-3-7-20)16-25-12-4-8-21/h18-21H,1-16H2, InChI=1S/C5H12O4.C3H8O2/c6-1-5(2-7,3-8)4-9;1-3(5)2-4/h6-9H,1-4H2;3-5H,2H2,1H3 |
| IUPAC name chemrof:IUPAC_name | 2,2-bis(hydroxymethyl)propane-1,3-diol;propane-1,2-diol, 2,2-dimethylolpropane-1,3-diol;propane-1,2-diol, 3-[3-(3-hydroxypropoxy)-2,2-bis(3-hydroxypropoxymethyl)propoxy]-1-propanol, 3-[3-(3-hydroxypropoxy)-2,2-bis(3-hydroxypropoxymethyl)propoxy]propan-1-ol, 3-[3-(3-oxidanylpropoxy)-2,2-bis(3-oxidanylpropoxymethyl)propoxy]propan-1-ol |
| Molecular formula chemrof:molecular_formula | C17H36O8, C8H20O6 |
| SMILES string chemrof:smiles_string | C(CO)COCC(COCCCO)(COCCCO)COCCCO, CC(CO)O.C(C(CO)(CO)CO)O |
Known URLs
7Where 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=9051-49-4 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.105.539 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID90868116 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.038.427C | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/16212716 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/165768 | enrich_references.pubchem_compound |
| wikidata.org | https://www.wikidata.org/wiki/Q126600749 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 49dc274c-b158-486f-ab27-145fa9ef6993 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 93a6aab7-ae4f-4c03-a19b-9a95ce509dec | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 0b34c353-ddfe-4bb8-84a2-d386ae270ed4 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 7f0a7f30-e680-40f0-94b3-10c35dfd1f9e | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 7309f4b5-bdb8-4218-99b6-dd2005519ee5 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 51a235de-680b-4ed9-8754-e0f52ef1c341 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| f87ac61f-165b-42d5-aec0-f6ec444d7598 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 0d55f30c-14c8-4f04-8bc6-4ebc30eedd10 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 516e3628-dfe8-4552-8260-703a7d06fcf0 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 9bb707fb-e896-4e3a-be01-4c906e668e99 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 06d900f3-ece7-41ea-8a13-83a4303811cb | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 8880eaa5-dd56-44c4-a0b3-b8351b6a486e | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 1dbe2e2e-6e69-4cfd-aa86-74a3fcf492cc | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (54 changes)
Full record
Flow object JSON
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