1,3-dimethylbutyl Acetate
fo-19e4c3b71b6556b5
Identity
- Type
- Neutral molecule
- CAS
- 108-84-9
- EC
- 203-621-7
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
8- 2-Pentanol, 4-methyl-, 2-acetate
- 2-Pentanol, 4-methyl-, acetate
- 4-Methyl-2-pentanol acetate
- 4-Methyl-2-pentyl acetate
- 4-Methylpent-2-yl ethanoate
- Acetic acid 1,3-dimethylbutyl ester
- MAAc
- Methylisobutylcarbinol acetate
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | CPIVYSAVIPTCCX-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C8H16O2/c1-6(2)5-7(3)10-8(4)9/h6-7H,5H2,1-4H3 |
| IUPAC name chemrof:IUPAC_name | 1,3-dimethylbutyl Acetate |
| Molecular formula chemrof:molecular_formula | C8H16O2 |
| Molecular mass chemrof:molecular_mass | 144.214 |
| Monoisotopic mass chemrof:monoisotopic_mass | 144.11503 |
| SMILES string chemrof:smiles_string | CC(=O)OC(C)CC(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=108-84-9 | enrich_references.consensus_cas_link |
| cdc.gov | https://www.cdc.gov/niosh-rtecs/SA72D288.html | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.003.293 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1335 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID6051562 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=567 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/IP9ZB28RWN | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J48.640J | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/7959 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#1233 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q11892870 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 799812c7-afbc-4eb3-951c-334a24c8eaab | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 6a56858f-6193-4122-ba91-696fc3968f26 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 47132b0e-7cfb-4fb4-b003-88436cd4f185 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 32f81aca-c557-4088-b985-7c4af2b6053e | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 6d7d8223-afa2-4ccc-beae-c0d3c45a9832 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| b8c30068-6690-4793-a533-ecce3192682e | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 82e07728-c648-4447-a5d7-eb5587f1109d | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 5c1c2576-46ea-4ee1-8b58-0921e029e868 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 9d09a6f2-abdb-461e-83e3-0c6d1a4c8ad1 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 1af47a4e-c527-44c7-9cf9-41089e96f9c9 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| b3e7b35d-121c-4948-9671-29256c76d50d | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 175e645f-0b58-4fdc-a3e7-e10c36ada416 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 0d44849d-03e5-4a99-a897-e75495be3334 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (56 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