Diethylhexyl Syringylidenemalonate
fo-f8978df2a2c049b6
Identity
- Type
- Neutral molecule
- CAS
- 444811-29-4
- EC
- 468-890-7
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
3- Oxynex ST
- Propanedioic acid, 2-[(4-hydroxy-3,5-dimethoxyphenyl)methylene]-, 1,3-bis(2-ethylhexyl) ester
- Propanedioic acid, [(4-hydroxy-3,5-dimethoxyphenyl)methylene]-, bis(2-ethylhexyl) ester
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | NSBAXYINVVKQQI-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C28H44O7/c1-7-11-13-20(9-3)18-34-27(30)23(28(31)35-19-21(10-4)14-12-8-2)15-22-16-24(32-5)26(29)25(17-22)33-6/h15-17,20-21,29H,7-14,18-19H2,1-6H3 |
| IUPAC name chemrof:IUPAC_name | Propanedioic acid, 2-[(4-hydroxy-3,5-dimethoxyphenyl)methylene]-, 1,3-bis(2-ethylhexyl) ester |
| Molecular formula chemrof:molecular_formula | C28H44O7 |
| Molecular mass chemrof:molecular_mass | 492.653 |
| Monoisotopic mass chemrof:monoisotopic_mass | 492.308704 |
| SMILES string chemrof:smiles_string | CCCCC(CC)COC(=O)C(=Cc1cc(OC)c(O)c(OC)c1)C(=O)OCC(CC)CCCC |
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=444811-29-4 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.104.890 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.112.212 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID301021563 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/3V5U97P248 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.409.578I | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/10163591 | enrich_references.pubchem_compound |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/1368195 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q27258070 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 208b1a31-6dfc-4066-bf75-8a65dd843675 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 3ada3332-1161-4447-bc6b-d0c151364671 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| a8793a52-5aef-4474-b7df-2cf78e8d88e7 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 35f55b18-3282-4d85-acc2-26b7b30d43a6 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 7fcde59a-bb98-4be9-a706-34254466f3a4 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| f38d31b3-de58-4231-a5f1-9d8f5dcafc2a | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 4124add3-4214-4fc5-83a4-14f84542a60b | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 1d8658cd-7b75-4616-bd69-d05a22adc086 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| f6405780-41fc-4b6c-9aee-7ea2e3c01c99 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| ef3cdef1-1104-4190-9d3b-e84645424b2e | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 24992db9-e5ca-4e80-9108-508e0857998f | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| e2952579-8028-4d56-8a92-de925f08023e | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| c77f486f-89e6-43e2-9717-4003078dd5dc | 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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}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