1,5-dimethyl-1-vinylhex-4-en-1-yl Acetate
fo-1a393634cc712aa9
Identity
- Type
- Neutral molecule
- CAS
- 115-95-7
- EC
- 204-116-4
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
19- (+-)-3,7-dimethylocta-1,6-dien-3-yl acetate
- (-)-linalyl acetate
- (3R)-3,7-dimethylocta-1,6-dien-3-yl acetate
- (±)-Linaloyl acetate
- (±)-Linalyl acetate
- 1,5-Dimethyl-1-vinyl-4-hexenyl acetate
- 1,6-Octadien-3-ol, 3,7-dimethyl-, 3-acetate
- 1,6-Octadien-3-ol, 3,7-dimethyl-, acetate
- 3,7-Dimethyl-1,6-octadien-3-ol acetate
- 3,7-Dimethyl-1,6-octadien-3-yl acetate
- 3-Acetoxy-3,7-dimethyl-1,6-octadiene
- Acetic acid linalool ester
- Bergamiol
- Bergamol
- Bergamot mint oil
- dl-Linalool acetate
- Linalool acetate
- Linalyl acetate
- rac-3,7-dimethylocta-1,6-dien-3-yl acetate
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | UWKAYLJWKGQEPM-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C12H20O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h6,8H,1,7,9H2,2-5H3 |
| IUPAC name chemrof:IUPAC_name | 1,5-dimethyl-1-vinylhex-4-en-1-yl 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 | C=CC(C)(CCC=C(C)C)OC(C)=O |
Known URLs
19Where 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=115-95-7 | enrich_references.consensus_cas_link |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:78333 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.003.743 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1716 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID7026946 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=2138 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL502773 | enrich_references.pubchem_identifier_url |
| femaflavor.org | https://www.femaflavor.org/flavor-library/linalyl-acetate | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/5K47SSQ51G | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0039522 | enrich_references.pubchem_identifier_url |
| hts.usitc.gov | https://hts.usitc.gov/search?query=2915.39.40.00 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.900I | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J294.877J | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=28008 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/8294 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=341957 | enrich_references.pubchem_identifier_url |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/1735331 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q188314 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Linalyl_acetate | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| afc2d2a0-44ad-4b9d-aacc-cf3d735ff624 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| a26d9304-0eda-4250-a1fe-e73ca2462a6b | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| e85ea9c8-3fb5-4d9e-9fbd-5672f8322f18 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 2127fe0f-dd40-4716-b1b3-2bda33259173 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| c94a3128-402c-46bc-bc64-d269b7bf5f7e | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| dfce0071-c017-4532-82e7-483e9ce4adf3 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| e18de30f-17c0-4aa2-8629-4e23b092ceb5 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 4cac49fa-a739-4353-bb62-0481fd414ce0 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| b52f3c60-685e-4d34-ab8f-0a7d999e62d6 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| c88ff8ad-fac3-4659-a4df-3eaac515dca6 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| b45bcf7d-ca58-4541-9b60-42f9fb1fcb6e | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| b9f46717-1406-487b-9db7-0a8a7c22b2ed | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| e001cc92-238e-4e5f-bbc8-d33cc74394a1 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
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