2-[2-(2-acetyloxyethoxy)ethoxy]ethyl Acetate
fo-5560b0ac594d3622
Identity
- Type
- Neutral molecule
- CAS
- 111-21-7
- EC
- 203-846-0
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
![Structure diagram for 2-[2-(2-acetyloxyethoxy)ethoxy]ethyl Acetate](/flow-objects/fo-5560b0ac594d3622/structure.svg)
Alternative labels
6- 1,8-Diacetoxy-3,6-dioxaoctane
- Clextral BC 21
- Ethanol, 2,2′-[1,2-ethanediylbis(oxy)]bis-, 1,1′-diacetate
- Ethanol, 2,2′-[1,2-ethanediylbis(oxy)]bis-, diacetate
- Triethylene glycol, diacetate
- Triglycol diacetate
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | OVOUKWFJRHALDD-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C10H18O6/c1-9(11)15-7-5-13-3-4-14-6-8-16-10(2)12/h3-8H2,1-2H3 |
| IUPAC name chemrof:IUPAC_name | 2-[2-(2-acetyloxyethoxy)ethoxy]ethyl Acetate |
| Molecular formula chemrof:molecular_formula | C10H18O6 |
| Molecular mass chemrof:molecular_mass | 234.248 |
| Monoisotopic mass chemrof:monoisotopic_mass | 234.110338 |
| SMILES string chemrof:smiles_string | CC(=O)OCCOCCOCCOC(C)=O |
Known URLs
9Where 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=111-21-7 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.003.497 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID3026223 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=2591 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3186191 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/A559792B4Q | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J58.261A | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/8098 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27273649 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| c68ade1d-1fe3-461a-8121-2a7ce73fe577 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 5ea97b49-9b82-4fa8-ae0e-56c74395e4ba | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| d235796f-708b-4fb8-873b-c6a770dce19e | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| dbbc2a4e-0b5b-44dd-b792-46d30f22e9a6 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 1c85b67f-46fa-4a74-93db-b5fcc7370f8c | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| f3677a9c-b46c-41ce-9e28-5e579118ca1b | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| c69b4d82-a7b1-4a49-88fa-5d808b2e07b3 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 23f64449-c7ab-4eb2-92b8-60a39b64ebd4 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 3d5667e2-6dde-4783-9ec5-f37a454bab3d | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 8b68687d-5202-45a4-8ca2-77b62d6a0dd5 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 4aefdcbc-3736-4a4c-8588-b269a7b71bcc | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| a17ac784-2db3-4441-97da-9a0104365704 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| cd59c4d6-fa32-4d4b-ba4d-344aaa45c33b | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (55 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