Mixture Of Isomers
fo-3c6da5002acb1740
Identity
- Type
- Neutral molecule
- CAS
- 30025-38-8
- EC
- 405-820-6
- 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
4- (2-Ethoxymethylethoxy)propanol
- Dipropylene glycol monoethyl ether
- Ethoxy propoxy propanol
- Propanol, (2-ethoxymethylethoxy)-
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | GEZOSPWWMQDYMS-UHFFFAOYSA-N, QWOZZTWBWQMEPD-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C8H18O3/c1-3-8(9)11-7-5-6-10-4-2/h8-9H,3-7H2,1-2H3, InChI=1S/C8H18O3/c1-4-11-8(3)6-10-5-7(2)9/h7-9H,4-6H2,1-3H3 |
| IUPAC name chemrof:IUPAC_name | 1-(2-ethoxypropoxy)-2-propanol, 1-(2-ethoxypropoxy)propan-2-ol, 1-(3-ethoxypropoxy)-1-propanol, 1-(3-ethoxypropoxy)propan-1-ol |
| Molecular formula chemrof:molecular_formula | C8H18O3 |
| SMILES string chemrof:smiles_string | CCC(O)OCCCOCC, CCOC(C)COCC(C)O |
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=10143-32-5 | enrich_references.pubchem_identifier_url |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=30025-38-8 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.030.359 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID10906185 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J101.447A | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/57357911 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/93059 | enrich_references.pubchem_compound |
| wikidata.org | https://www.wikidata.org/wiki/Q82874856 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 45dc21a8-18eb-4ee1-8840-aacff4497cae | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 36f486a7-7f2a-48fb-8710-d43967a7e61b | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| dbacfc5e-5c50-4ea8-8c3a-d48662861af0 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| bc053cf6-4935-48be-b2ca-66de51bc731b | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 6a64ad69-fee6-4311-8be3-e22665fd9162 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 7be79fdd-0b1e-4bcb-a591-298f38fe12b7 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| a54ac46c-fdb7-4a2f-95a7-fa86acf2628f | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 76388cf4-e183-465b-9b7c-0dc91c088254 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 09434166-ff88-4124-9f44-206f753882de | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 7c72c944-4838-44cb-8314-1ff6504cea42 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 8dd32588-725b-4a3f-8145-200d906bc556 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| ac8ad985-c976-417b-b4c5-7e244a7fa118 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 4f2d60f9-5857-47d8-8c0b-6084b59f9767 | 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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