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Compound Summary

General Compound Information

2-methoxyphenol

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Description

Guaiacol is a monomethoxybenzene that consists of phenol with a methoxy substituent at the ortho position. It has a role as an expectorant, a disinfectant, a plant metabolite and an EC 1.1.1.25 (shikimate dehydrogenase) inhibitor. It derives from a catechol.

Synonyms

guaiacol; 2-Methoxyphenol; 90-05-1; o-Methoxyphenol; 2-Hydroxyanisole;

Guaiastil;Pyroguaiac acid;o-Guaiacol;o-Hydroxyanisole;Phenol, 2-methoxy-;Pyrocatechol monomethyl ether;1-Hydroxy-2-methoxybenzene;Methylcatechol;Anastil;Guaicol;Phenol, o-methoxy-;Guaicolina;Guajol;Guasol;O-Methyl catechol;Catechol monomethyl ether;Methoxyphenol;Guajakol;Creodon;Wood creosote;8021-39-4;CREOSOTE, WOOD;2-Methoxy-Phenol;Hydroxyanisole;FEMA No. 2532;Guaiacol [JAN];Methylcatachol;ortho-Guaiacol;2-methoxy phenol;NSC 3815;(mu)-methoxyphenol;MFCD00002185;Guaiacol (JAN);Creodon (TN);NSC-3815;2-methoxyl-4-vinylphenol;6JKA7MAH9C;9009-62-5;2-methoxyphenol (guaiacol);CHEMBL13766;DTXSID0023113;CHEBI:28591;Phenol, methoxy-;NCGC00090827-02;NCGC00090827-04;Guajacol;Guajakol [Czech];Creosote, beechwood;Guaiacol (natural);DTXCID003113;Pyrocatechol methyl ester;CAS-90-05-1;26247-00-7;CCRIS 2943;Guaiacol [JAN:NF];HSDB 4241;SR-01000838056;EINECS 201-964-7;UNII-6JKA7MAH9C;guiacol;Creasote;methoxy phenol;6-methoxyphenol;hydroxyl anisole;AI3-05615;Nat.Guaiacol;O-methylcatechol;o-Guiacol;o--methoxyphenol;orthomethoxyphenol;o-methoxy-Phenol;2-Methyloxyphenol;ortho-methoxyphenol;Guaiacol,(S);JZ3;2-(methyloxy)phenol;GUAIACOL [FHFI];GUAIACOL [HSDB];GUAIACOL [MI];GUAIACOL [VANDF];Catechol mono methyl ether;DSSTox_CID_3113;GUAIACOL [MART.];bmse000436;bmse010027;GUAIACOL [USP-RS];GUAIACOL [WHO-DD];EC 201-964-7;Guaiacol, puriss., 99%;WLN: QR BO1;DSSTox_RID_77552;1- hydroxy-2-methoxybenzene;3-methoxy-4-hydroxy benzene;DSSTox_GSID_24853;SCHEMBL21626;ghl.PD_Mitscher_leg0.900;guaiacol (liquid) extra pure;Guaiacol, oxidation indicator;MLS001055375;GUAIACOL [EP MONOGRAPH];GUAIACOL [USP IMPURITY];NSC3815;Guaiacol, natural, >=99%, FG;HMS2089D18;HMS2233P04;HMS3372N11;HMS3715E11;Pharmakon1600-01506165;BCP27082;CS-D1347;HY-N1380;STR03604;Tox21_111031;Tox21_201136;Tox21_202990;Tox21_400004;BDBM50240369;NSC760376;s3872;STL281868;ZINC13512224;AKOS000118831;CCG-214035;DB11359;NSC-760376;PB43791;PS-3252;Guaiacol, SAJ first grade, >=98.0%;NCGC00090827-01;NCGC00090827-03;NCGC00090827-05;NCGC00090827-06;NCGC00090827-07;NCGC00258688-01;NCGC00260535-01;AC-34997;Guaiacol, Vetec(TM) reagent grade, 98%;SMR000059155;SY048708;CAS-8021-39-4;DB-024854;FT-0626815;FT-0671312;GUAIFENESIN IMPURITY A [EP IMPURITY];M0121;EN300-19498;C01502;D00117;F70227;2-Methoxyphenol;o-Methoxyphenol;2-Hydroxyanisole;AB00876226-06;AB00876226_07;A843426;Q412403;Q-100002;SR-01000838056-2;SR-01000838056-3;F2173-0425;Guaiacol, European Pharmacopoeia (EP) Reference Standard;Z104474028;Guaiacol, United States Pharmacopeia (USP) Reference Standard;Guaiacol, Pharmaceutical Secondary Standard; Certified Reference Material;

FlavorDB ID

2542

PUBCHEM ID

Molecular Weight

124.14 Molecular Formula

C7H8O2

Openeye Can Smiles

COC1=CC=CC=C1O

IUPAC Inchikey

LHGVFZTZFXWLCP-UHFFFAOYSA-N

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Similarity

CATEGORY	QUALITY	THRESHOLD	OCCURENCE	REFERENCE
smell	burnt	2.278e-6 µmol/L	olive oil	details
smell	smoky, sweet	6.767e-3 µmol/L		details
smell	smoky, sweet	1.289e-2 µmol/L		details
smell	gammon-like, smoky	6.767e-3 µmol/L	licorice	details
smell		6.767e-3 µmol/L	blanched prawn fried prawn	details
smell	smoky	6.767e-3 µmol/L	tomato	details
smell	smoky	2.014e-2 µmol/L	white alba truffle burgundy truffle	details
smell	smoky	6.767e-3 µmol/L	jackfruit pulp	details
smell	smoky	5.719e-2 µmol/L	rum red wine	details
smell	smoke-like	6.767e-3 µmol/L	cempedak	details
smell	smoky, ham-like	6.767e-3 µmol/L	barley tea	details
smell	smoky, gammon-like	6.767e-3 µmol/L	green tea	details

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

Food Additive Safety (OFAS)
GUAIACOL is used for FLAVORING AGENT OR ADJUVANT. More food additive safty information please view GRAS report.

EFSA's chemical Hazards Database : OpenFoodTox
This compound is found in OpenFoodTox with the name: 2-Methoxyphenol

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

OUTPUT ID	ASSESSMENT	QUALIFIER	VALUE	UNIT	POPULATION
2254	TTC Cramer Class I	=	30	µg/kg bw/day	Consumers

Genotoxicity

Author	YEAR	OUTPUT ID	Genotoxicity
EFSA AFC	2008	2254	Not determined

EFSA Outputs

Output ID	Title	DOI	Published
2254	Flavouring Group Evaluation 58 (FGE.58): Consideration of phenol derivatives evaluated by JECFA (55th meeting) structurally related to ring substituted phenolic substances evaluated by EFSA in FGE.22 (2006) (Commission Regulation (EC) No 1565/2000 of 18 July 2000). Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission	doi:10.2903/j.efsa.2008.711	21May2008

Receptors

Receptor	REFERENCE	EC50 [µM]	Effective Concentration [µM]
OR1G1	details	Activated

Consensus Spectra

Spectrum Type	Spectrum View	Description	Polarity
Experimental GCMS	view	GCMS	positive

Content

Compound Summary

2-methoxyphenol

Description

Guaiacol is a monomethoxybenzene that consists of phenol with a methoxy substituent at the ortho position. It has a role as an expectorant, a disinfectant, a plant metabolite and an EC 1.1.1.25 (shikimate dehydrogenase) inhibitor. It derives from a catechol.

Synonyms

guaiacol; 2-Methoxyphenol; 90-05-1; o-Methoxyphenol; 2-Hydroxyanisole;

FlavorDB ID

2542

PUBCHEM ID

460

Molecular Weight

124.14

Molecular Formula

C7H8O2

Openeye Can Smiles

COC1=CC=CC=C1O

IUPAC Inchikey

LHGVFZTZFXWLCP-UHFFFAOYSA-N

Network

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Similarity

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Content

Compound Summary

2-methoxyphenol

Description

Guaiacol is a monomethoxybenzene that consists of phenol with a methoxy substituent at the ortho position. It has a role as an expectorant, a disinfectant, a plant metabolite and an EC 1.1.1.25 (shikimate dehydrogenase) inhibitor. It derives from a catechol.

Synonyms

guaiacol; 2-Methoxyphenol; 90-05-1; o-Methoxyphenol; 2-Hydroxyanisole;

FlavorDB ID

2542

PUBCHEM ID

460

Molecular Weight

124.14

Molecular Formula

C7H8O2

Openeye Can Smiles

COC1=CC=CC=C1O

IUPAC Inchikey

LHGVFZTZFXWLCP-UHFFFAOYSA-N

Network

Shown in network

Similarity

Show/Hide similarity panel

Reference Details

Reference Details

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Reference Details

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Reference Details

Reference Details

Reference Details

Reference Details

OpenFoodTox: component 2-Methoxyphenol

Reference Details

GC-MS Spectrum