Mono Ester Reaction Product Of Oleic Acid With Oxy(bispropanediol).
fo-16bedaa16bc3001c
Identity
- Type
- Molecular complex
- CAS
- 49553-76-6
- EC
- 256-367-4
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 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
26- 9-Octadecenoic acid (9Z)-, monoester with oxybis[propanediol]
- 9-Octadecenoic acid (Z)-, monoester with oxybis[propanediol]
- DGMO
- DGMO-C
- Diglycerin monooleate
- Diglycerol monooleate
- Diglyceryl monooleate
- Dimodan DGMO
- Emalex MOG 2
- Ematech S 500
- Grindsted PGE-O 80
- Nikkol DGMO
- Nikkol DGMO 90V
- Nikkol DGMO-C
- Oleic acid diglycerol monoester
- Poem DO 100
- Poem DO 100V
- Poem DOC 100V
- Poem DOV 100C
- Polyglyceryl-2 oleate
- Rikemal DO 100
- Rikemal JV 2681
- Rylo PG 29
- S-Face O 201P
- Sunsoft Q 17D-C
- TS-T 154
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | BKZCZANSHGDPSH-KTKRTIGZSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C18H34O2.2C3H8O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2*4-1-3(6)2-5/h9-10H,2-8,11-17H2,1H3,(H,19,20);2*3-6H,1-2H2/b10-9-;; |
| Isomeric SMILES string chemrof:isomeric_smiles_string | CCCCCCCC/C=C\CCCCCCCC(=O)O.OCC(O)CO.OCC(O)CO |
| IUPAC name chemrof:IUPAC_name | Diglycerin monooleate |
| Molecular formula chemrof:molecular_formula | C24H46O6 |
| Molecular mass chemrof:molecular_mass | 430.626 |
| Monoisotopic mass chemrof:monoisotopic_mass | 430.329439 |
| SMILES string chemrof:smiles_string | CCCCCCCCC=CCCCCCCCC(=O)O.OCC(O)CO.OCC(O)CO |
Known URLs
11Where 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=49553-76-6 | enrich_references.consensus_cas_link |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=59029-17-3 | enrich_references.pubchem_identifier_url |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=97605-97-5 | enrich_references.pubchem_identifier_url |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:230381 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.097.561 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.110.582 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID50891364 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/5759J47SAM | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J327.080G | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/16206195 | enrich_references.pubchem_compound |
| wikidata.org | https://www.wikidata.org/wiki/Q81981817 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 72da747b-e42f-46ac-a8f8-9b98199700d5 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 052d5fa2-d614-413c-a5f8-79516accd3e7 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| a1700f7b-f0d2-432d-86d5-ba1845a862f2 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| fbf45f88-1ba3-40ab-8789-0c7c75eef5e0 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 47f5bc25-c1cd-42ad-8530-277eeba3f137 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 74ede5ea-3d95-4c03-b622-3800622f4e11 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 8d19c6eb-836e-4247-9b0c-0755324fa5b7 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| a4377736-ee7a-42fb-a30d-a12ee36d199a | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 205ef2e7-bc3c-4522-a5ee-1654f63258e9 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 5e167d69-a99b-4846-8e3c-89b3d5e24bf6 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 9f38de3c-6c2a-4d7f-b3c7-4a6f89afa071 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| bd0c286b-3a08-4769-b854-e0217a38ec97 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| e6215b34-33a0-4e23-9415-aeaad9435be4 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (57 changes)
Full record
Flow object JSON
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