1'-acetoxysafrole

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

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

Where 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.org	https://www.wikidata.org/wiki/Q27289524	enrich_references.pubchem_identifier_url

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
08a91e70-3ddc-11dd-9a74-0050c2490048	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (54 changes)

Open the changes page

Flow object JSON

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1'-acetoxysafrole

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