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Compound Summary

General Compound Information

4-allyl-1,2-dimethoxybenzene

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Description

O-methyleugenol is a phenylpropanoid. It derives from a eugenol.

Synonyms

METHYLEUGENOL; Methyl eugenol; 93-15-2; 4-Allyl-1,2-dimethoxybenzene; Eugenol methyl ether;

4-Allylveratrole;O-Methyleugenol;Eugenyl methyl ether;Methyl eugenol ether;3,4-Dimethoxyallylbenzene;Veratrole methyl ether;1,2-Dimethoxy-4-(2-propenyl)benzene;Methyl eugenyl ether;Benzene, 1,2-dimethoxy-4-(2-propenyl)-;1-Allyl-3,4-dimethoxybenzene;1,2-dimethoxy-4-prop-2-enylbenzene;Benzene, 4-allyl-1,2-dimethoxy-;1,3,4-Eugenol methyl ether;1,2-Dimethoxy-4-allylbenzene;1-(3,4-Dimethoxyphenyl)-2-propene;4-allyl-1,2-dimethoxy-benzene;3-(3,4-dimethoxyphenyl)-1-propene;ENT 21040;FEMA No. 2475;Eugenol methyl;NSC 209528;4-Allyl-1,2-dimethyoxybenzene;1,2-Dimethoxy-4-(2-propen-1-yl)benzene;1,2-dimethoxy-4-(prop-2-en-1-yl)benzene;MFCD00008652;29T9VA6R7M;CHEBI:4918;DTXSID5025607;Benzene, 1,2-dimethoxy-4-(2-propen-1-yl)-;NSC-8900;NSC-209528;Benzene, 4-(2-propenyl)-1,2-dimethoxy;1,4-Eugenol methyl ether;O-Methyl eugenol;DTXCID505607;WLN: 1U2R CO1 DO1;TRIDEUTEROMETHYL EUGENOL;Caswell No. 579AB;FEMA Number 2475;Benzene,2-dimethoxy-4-(2-propenyl)-;CAS-93-15-2;SMR000112378;CCRIS 746;Methyleugenol (4-Allyl-1,2-dimethoxybenzene);HSDB 4504;o-Methyl eugenol ether;EINECS 202-223-0;EPA Pesticide Chemical Code 203900;BRN 1910871;UNII-29T9VA6R7M;AI3-21040;Methyleugenol,(S);Eugenol-methyl ether;METHYLCHAVIBETOL;Methyl Eugenol Natural;METHYLEUGENOL [MI];EC 202-223-0;Allyl-1,2-dimethoxybenzene;METHYLEUGENOL [HSDB];METHYLEUGENOL [IARC];METHYL EUGENOL [FCC];VERATROLE, 4-ALLYL-;MLS001065600;MLS001333205;MLS001333206;CHAVIBETOL METHYL ETHER;METHYL EUGENOL [INCI];SCHEMBL113794;CHEMBL108861;1,2-Dimethoxy-4-allyl benzene;4-Allyl-1, 2-dimethoxybenzene;SCHEMBL10108224;FEMA 2475;Methyl eugenol, >=98%, FCC;NSC8900;HMS2269M09;HMS3886M22;ZINC388674;Methyl eugenol, analytical standard;EUGENYL METHYL ETHER [FHFI];HY-N6996;Tox21_202347;Tox21_300071;BBL027720;BDBM50379791;ENT-21040;NSC209528;STK801819;4-Allyl-1,2-dimethoxybenzene, 99%;AKOS015838877;1-(3, 4-Dimethoxyphenyl)-2-propene;CS-W017325;1, 2-Dimethoxy-4-(2-propenyl)benzene;NCGC00091474-01;NCGC00091474-02;NCGC00091474-03;NCGC00091474-04;NCGC00254085-01;NCGC00259896-01;AC-34351;AS-14807;DB-002806;D1360;FT-0626371;S5755;E80630;EN300-698375;Q419829;W-100251;Z1255398904;METHYLEUGENOL (CONSTITUENT OF HOLY BASIL LEAF) [DSC];

FlavorDB ID

3056

PUBCHEM ID

Molecular Weight

178.23 Molecular Formula

C11H14O2

Openeye Can Smiles

COC1=C(C=C(C=C1)CC=C)OC

IUPAC Inchikey

ZYEMGPIYFIJGTP-UHFFFAOYSA-N

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Toxicity Summary
Link to the Distributed Structure-Searchable Toxicity (DSSTox) Database

Food Additive Safety (OFAS)
EUGENYL METHYL ETHER--NLFG is used for . More food additive safty information please view GRAS report.

EFSA's chemical Hazards Database : OpenFoodTox
This compound is found in OpenFoodTox with the name: Methyl eugenol

Reference point : Defined point on an experimental dose–response relationship for the critical effect. This term is synonymous to Point of departure (USA). Reference points include the lowest or no observed adverse effect level (LOAEL/NOAEL) or benchmark dose lower confidence limit (BDML), used to derive a reference value or Margin of Exposure in human and animal health risk assessment. In the ecological area, these include lethal dose (LD50), effect concentration (EC5/ECx), no (adverse) effect concentration/dose (NOEC/NOAEC/NOAED), no (adverse) effect level (NEL/NOAEL), hazard concentration (HC5/HCx) derived from a Species Sensitivity Distributions (SSD) for the ecosystem (EFSA Scientific Committee,2018). Citation: DOI 10.5281/zenodo.4740174

Reference point information of this compound is not available!

Reference Value

Reference Value : The estimated maximum dose (on a body mass basis) or the concentration of an agent to which an individual may be exposed over a specified period without appreciable risk. Reference values are established by applying an uncertainty factor to the reference point. Examples of reference values in human health include acceptable daily intake (ADI) for food and feed additives, and pesticides, tolerable upper intake levels (UL) for vitamins and minerals, and tolerable daily intake (TDI) for contaminants and food contact materials. For acute effects and operators, the acute reference dose (ARfD) and the acceptable operator exposure level (AOEL). In animal health and the ecological area, these include safe feed concentrations and the Predicted no effect concentration (PNEC) respectively (EFSA Scientific Committee, 2018). Citation: DOI 10.5281/zenodo.4740174

Reference value information of this compound is not available!

Genotoxicity

Author	YEAR	OUTPUT ID	Genotoxicity
EFSA	2012	1318	Positive
EFSA	2012	1345	Positive
EFSA	2012	1346	Positive
EFSA	2012	1347	Positive

EFSA Outputs

Output ID	Title	DOI	Published
1318	Conclusion on the peer review of the pesticide risk assessment of the active substance plant oils/citronella oil	doi:10.2903/j.efsa.2012.2518	10Feb2012
1345	Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol	doi:10.2903/j.efsa.2012.2914	05Nov2012
1346	Conclusion on the peer review of the pesticide risk assessment of the active substance geraniol	doi:10.2903/j.efsa.2012.2915	05Nov2012
1347	Conclusion on the peer review of the pesticide risk assessment of the active substance thymol	doi:10.2903/j.efsa.2012.2916	05Nov2012

Receptors

Receptor	REFERENCE	EC50 [µM]
OR10G7	details	Activated
OR2J2	details	Activated
OR2J3	details	Activated
OR2W1	details	Activated
OR51E1	details	Activated
OR5K1	details	Activated

Consensus Spectra

Spectrum Type	Spectrum View	Description	Polarity
Experimental GCMS	view	GCMS	positive
Experimental LCMS	view	LCMS_Positive	positive

Content

Compound Summary

4-allyl-1,2-dimethoxybenzene

Description

O-methyleugenol is a phenylpropanoid. It derives from a eugenol.

Synonyms

METHYLEUGENOL; Methyl eugenol; 93-15-2; 4-Allyl-1,2-dimethoxybenzene; Eugenol methyl ether;

FlavorDB ID

3056

PUBCHEM ID

7127

Molecular Weight

178.23

Molecular Formula

C11H14O2

Openeye Can Smiles

COC1=C(C=C(C=C1)CC=C)OC

IUPAC Inchikey

ZYEMGPIYFIJGTP-UHFFFAOYSA-N

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Content

Compound Summary

4-allyl-1,2-dimethoxybenzene

Description

O-methyleugenol is a phenylpropanoid. It derives from a eugenol.

Synonyms

METHYLEUGENOL; Methyl eugenol; 93-15-2; 4-Allyl-1,2-dimethoxybenzene; Eugenol methyl ether;

FlavorDB ID

3056

PUBCHEM ID

7127

Molecular Weight

178.23

Molecular Formula

C11H14O2

Openeye Can Smiles

COC1=C(C=C(C=C1)CC=C)OC

IUPAC Inchikey

ZYEMGPIYFIJGTP-UHFFFAOYSA-N

Network

Shown in network

Similarity

Show/Hide similarity panel

OpenFoodTox: component Methyl eugenol

Reference Details

Reference Details

Reference Details

Reference Details

Reference Details

Reference Details

GC-MS Spectrum

GC-MS Spectrum