Safrole

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Systematic / IUPAC Name: 5-Allyl-1,3-benzodioxole

ID: Reference5366

Other Names: 1,3-Benzodioxole, 5-(2-propen-1-yl)-;
1,3-Benzodioxole, 5-(2-propenyl)-;
1,3-Benzodioxole, 5-allyl-;
4-Allyl-procatecol;
4-Allylpyrocatechol formaldehyde acetal ; more

Formula: C10H10O2

Class: Drugs of Abuse/Illegal Drugs Endogenous Metabolites

Spectral Data

Safrole mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 97
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 8/1/2016 8:18:16 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2
InChI Key ZMQAAUBTXCXRIC-UHFFFAOYSA-N
Canonical SMILES C=CCC1=CC2=C(C=C1)OCO2
CAS 94597
Splash
Other Names 1,3-Benzodioxole, 5-(2-propen-1-yl)-;
1,3-Benzodioxole, 5-(2-propenyl)-;
1,3-Benzodioxole, 5-allyl-;
4-Allyl-procatecol;
4-Allylpyrocatechol formaldehyde acetal;
5-(2-Propenyl)-1,3-benzodioxole;
5-(Prop-2-en-1-yl)-2H-1,3-benzodioxole;
5-Allyl-benzo[1,3]dioxole;
5-Allylbenzo[d][1,3]dioxole;
5-Prop-2-enyl-1,3-benzodioxole;
Benzodioxole, 5-(2-propenyl)-;
Rhyuno;
Rhyuno oil;
Safrene;
Safrol;
Shikimol;
Shikimole;
Shikomol;
[1,2-(Methylenedioxy)-4-allyl]benzene;
m-Allylpyrocatechin methylene ether;
1,2-(Methylenedioxy)-4-allylbenzene;
1,2-Methylenedioxy-4-allylbenzene;
1-Allyl-3,4-(methylenedioxy)benzene;
1-Allyl-3,4-methylenedioxybenzene;
3-(3,4-Methylenedioxyphenyl)prop-1-ene;
3,4-(Methylenedioxy)allylbenzene;
3,4-Methylenedioxy-allylbenzene;
3-[(3,4-Methylenedioxy)phenyl]-1-propene;
3-Allyl-1,2-(methylenedioxy)benzene;
4-Allyl-1,2-(methylenedioxy)benzene;
4-Allyl-1,2-methylenedioxybenzene;
4-Allylcatechol methylene ether;
4-Allylpyrocatechol methylene ether;
Allylcatechol methylene ether;
Allyldioxybenzene methylene ether;
Allylpyrocatechol methylene ether;
Benzene, 1,2-methylenedioxy-4-allyl-;
Benzene, 4-allyl-1,2-(methylenedioxy)-;
Benzene,1-allyl,3,4-methylenedioxy safrole

In Other Databases

ChEBI CHEBI:8994
PubChem 5144
ChemSpider 13848731
ChEMBL CHEMBL242273
HMDb HMDB33591
Wikipedia Safrole
KEGG C10490