1'-acetoxysafrole
fo-8b0ca51a123b4bb0
Identity
- Type
- Neutral molecule
- CAS
- 34627-78-6
- EC
- —
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
5- 1,3-Benzodioxole-5-methanol, α-ethenyl-, 5-acetate
- 1,3-Benzodioxole-5-methanol, α-ethenyl-, acetate
- 1-(1,3-Benzodioxol-5-yl)prop-2-enyl acetate
- 1-(Benzo[d][1,3]dioxol-5-yl)allyl acetate
- 1′-Acetoxysafrole
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | TXUCQVJZBXYDKH-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C12H12O4/c1-3-10(16-8(2)13)9-4-5-11-12(6-9)15-7-14-11/h3-6,10H,1,7H2,2H3 |
| IUPAC name chemrof:IUPAC_name | 1'-acetoxysafrole |
| Molecular formula chemrof:molecular_formula | C12H12O4 |
| Molecular mass chemrof:molecular_mass | 220.224 |
| Monoisotopic mass chemrof:monoisotopic_mass | 220.073559 |
| SMILES string chemrof:smiles_string | C=CC(OC(C)=O)c1ccc2c(c1)OCO2 |
Known URLs
6Where 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=34627-78-6 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID5039226 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/T1060XFT05 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.494K | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/36868 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27289524 | enrich_references.pubchem_identifier_url |
Elementary flows
14| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 3e4d297a-6556-11dd-ad8b-0800200c9a66 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 08a91e70-3ddc-11dd-9a70-0050c2490048 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| bc63e173-6184-4eff-a44b-4f8ed9cc098a | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 08a91e70-3ddc-11dd-9a6f-0050c2490048 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 08a91e70-3ddc-11dd-9a71-0050c2490048 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 08a91e70-3ddc-11dd-9a6e-0050c2490048 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 08a91e70-3ddc-11dd-9a6c-0050c2490048 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 08a91e70-3ddc-11dd-9a75-0050c2490048 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 08a91e70-3ddc-11dd-9a6d-0050c2490048 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 08a91e70-3ddc-11dd-9a73-0050c2490048 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 08a91e70-3ddc-11dd-9a76-0050c2490048 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 08a91e70-3ddc-11dd-9a72-0050c2490048 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| d593e501a96f8b383a2cf4ce3f80ca229c7c6f8a | Environmental → Water → Unconfined aquifer | stepwise algorithm addition | kg | 0 |
| 08a91e70-3ddc-11dd-9a74-0050c2490048 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (54 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