2,2,4-trimethylpentane-1,3-diyl Bis(2-methylpropanoate)
fo-733d86c2ec086937
Identity
- Type
- Neutral molecule
- CAS
- 6846-50-0
- EC
- 229-934-9
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
21- 1,3-Pentanediol, 2,2,4-trimethyl-, diisobutyrate
- 1-Isopropyl-2,2-dimethyltrimethylene diisobutyrate
- 2,2,4-Trimethyl-1,3-pentanediol 2-methylpropanoic acid diester
- 2,2,4-Trimethyl-1,3-pentanediol bis(isobutyrate)
- 2,2,4-Trimethyl-1,3-pentanediol di(isopropylformate)
- 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate
- 2,2,4-Trimethyl-1,3-pentanediyl diisobutyrate
- 2,2,4-Trimethylpentane 1,3-diisobutanoate
- 2,2-Dimethyl-1-(1-methylethyl)-1,3-propanediyl bis(2-methylpropanoate)
- [2,2,4-Trimethyl-3-(2-methylpropanoyloxy)pentyl] 2-methylpropanoate
- Eastman OE 300
- Eastman TXIB
- Isobutyric acid, 1-isopropyl-2,2-dimethyltrimethylene ester
- Kodaflex TXIB
- Kyowanol D
- Kyowanol M
- Propanoic acid, 2-methyl-, 1,1′-[2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl] ester
- Propanoic acid, 2-methyl-, 2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl ester
- Texanol isobutyrate
- Texanol OE 300
- TXIB
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | OMVSWZDEEGIJJI-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C16H30O4/c1-10(2)13(20-15(18)12(5)6)16(7,8)9-19-14(17)11(3)4/h10-13H,9H2,1-8H3 |
| IUPAC name chemrof:IUPAC_name | 2,2,4-trimethylpentane-1,3-diyl Bis(2-methylpropanoate) |
| Molecular formula chemrof:molecular_formula | C16H30O4 |
| Molecular mass chemrof:molecular_mass | 286.412 |
| Monoisotopic mass chemrof:monoisotopic_mass | 286.214409 |
| SMILES string chemrof:smiles_string | CC(C)C(=O)OCC(C)(C)C(OC(=O)C(C)C)C(C)C |
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=6846-50-0 | enrich_references.consensus_cas_link |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:89871 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.027.213 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID1027635 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3183335 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/4KZA479DWQ | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0059777 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J15.698A | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=130611 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/23284 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27162056 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 9ed12014-6bc3-4f70-8875-88d0996da4e8 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| bf10589b-061a-4c4e-96a9-5ef8ebd3b5c8 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| e774caa0-b1ab-4421-981a-86a90139b98c | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 71201958-985c-4d31-b701-feec53accc60 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 4f06e79d-b134-4a29-95d6-10bcca8047b6 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 192a9fa4-71f6-47c9-b868-e35154b2fdef | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 0dcd5fa7-6cf2-4e67-8254-4e0c6d0253d4 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| a01a551d-2bbd-4a65-a706-d8443aaba742 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 05df8041-065a-4fb9-a982-a6ecbf167f6d | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| b4ccd4c4-1b26-451d-b792-da034ba77a60 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| a9978e40-5d43-41e2-bd19-7df04f7ca41b | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| a1627970-052f-4079-950b-8044eb214c7a | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 077e44ca-e77e-4c1f-b1a0-e0627d1d328d | 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