1-methyl-1-(4-methylcyclohex-3-en-1-yl)ethyl Acetate
fo-71a3117d4d89c6a3
Identity
- Type
- Neutral molecule
- CAS
- 80-26-2
- EC
- 201-265-7
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
14- (±)-α-Terpineol acetate
- (±)-α-Terpinyl acetate
- 2-(4-Methyl-3-cyclohexen-1-yl)-2-propyl acetate
- 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl acetate
- 3-Cyclohexene-1-methanol, α,α,4-trimethyl-, 1-acetate
- 3-Cyclohexene-1-methanol, α,α,4-trimethyl-, acetate
- a-Terpineol acetate
- alpha-Terpinyl acetate
- p-Menth-1-en-8-ol, acetate
- p-Menth-1-en-8-yl acetate
- Terpinyl acetate
- α,α,4-Trimethyl-3-cyclohexene-1-methanol acetate
- α-Terpineol acetate
- α-Terpinyl acetate
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | IGODOXYLBBXFDW-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C12H20O2/c1-9-5-7-11(8-6-9)12(3,4)14-10(2)13/h5,11H,6-8H2,1-4H3 |
| IUPAC name chemrof:IUPAC_name | 1-methyl-1-(4-methylcyclohex-3-en-1-yl)ethyl Acetate |
| Molecular formula chemrof:molecular_formula | C12H20O2 |
| Molecular mass chemrof:molecular_mass | 196.29 |
| Monoisotopic mass chemrof:monoisotopic_mass | 196.14633 |
| SMILES string chemrof:smiles_string | CC(=O)OC(C)(C)C1CC=C(C)CC1 |
Known URLs
17Where 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=80-26-2 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:32320 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.001.151 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.031.063 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID2026496 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3183581 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/9RXE0I9F2J | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0032051 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.301C | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C12300 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C12300 | enrich_references.pubchem_identifier_url |
| lipidmaps.org | https://lipidmaps.org/databases/lmsd/LMPR0102090045 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=28133 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/111037 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=017643 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/20809147 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q4456134 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 0544ac7d-20e7-4d4e-a8d8-7e3e5f3093ed | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 2d133199-6c7f-4dba-ae4d-fc64f0108631 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 386b8802-91a9-4419-87aa-d324a28037ef | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| d9890e66-5b7c-4f72-a033-36df5d026dea | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 1a5e654d-2dde-479a-b6be-79ce8f792842 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| cf4b17e2-1113-4452-bee6-37d3c168483c | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| a4c750f0-1d76-4724-a640-d923c94eaf1e | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 80343579-f2c8-4dca-bea5-0936a504d04d | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 38d9874b-abdd-4b46-9736-9622246d21fb | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 9aede930-9bab-44ed-a86b-391facd8cc96 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| e46ac226-1e53-4f8e-a9bc-eef71771b61e | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 66b39181-378b-4686-9cc3-97f05d84514c | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 3b7b1e8f-4954-4eb5-8265-503aed251340 | 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