Eugenol

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Systematic / IUPAC Name: 2-Methoxy-4-prop-2-enylphenol

ID: Reference2882

Other Names: p-Allylguaiacol;
p-Eugenol;
4-Allylguaiacol;
5-Allylguaiacol;
Caryophyllic acid ; more

Formula: C10H12O2

Class: Therapeutics/Prescription Drugs Endogenous Metabolites Excipients/Additives/Colorants Personal Care Products/Cosmetics Textile Chemicals/Auxiliary/Dyes Pesticides/Herbicides

Spectral Data

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

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Available MS Data

Used Instruments Orbitrap Elite; Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 1855
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods APCI; NSI
Analyzers IT; FT
Last Modification 11/23/2015 9:50:44 AM
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Identificators

InChI InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3
InChI Key RRAFCDWBNXTKKO-UHFFFAOYSA-N
Canonical SMILES COC1=C(C=CC(=C1)CC=C)O
CAS 97530
Splash
Other Names p-Allylguaiacol;
p-Eugenol;
4-Allylguaiacol;
5-Allylguaiacol;
Caryophyllic acid;
Engenol;
Eugenic acid;
1-Allyl-4-hydroxy-3-methoxybenzene;
1-Hydroxy-2-methoxy-4-prop-2-enylbenzene;
2-Hydroxy-5-allylanisole;
2-Methoxy-1-hydroxy-4-allylbenzene;
2-Methoxy-4-(2-propen-1-yl)phenol;
2-Methoxy-4-(2-propenyl)phenol;
2-Methoxy-4-(3-propenyl)phenol;
2-Methoxy-4-allylphenol;
4-(2-Propenyl)-2-methoxyphenol;
4-Allyl-1-hydroxy-2-methoxybenzene;
4-Allyl-2-methoxyphenol;
4-Allylcatechol 2-methyl ether;
4-Hydroxy-3-methoxy-1-allylbenzene;
4-Hydroxy-3-methoxyallylbenzene;
Phenol, 2-methoxy-4-(2-propen-1-yl)-;
Phenol, 2-methoxy-4-(2-propenyl)-;
Phenol, 4-allyl-2-methoxy-

In Other Databases

KEGG C10453; D04117
ChemSpider 13876103
HMDb HMDB05809
PubChem 3314
Wikipedia Eugenol
ChEBI CHEBI:4917