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3-Methoxy-2-methylphenol, also known as guaiacol, is an organic compound with the chemical formula C7H8O2. It is a colorless to pale yellow liquid with a distinctive smoky, phenolic odor. Guaiacol is widely used as a chemical intermediate in the synthesis of various pharmaceuticals, agrochemicals, and other organic compounds. It is also employed as a flavoring agent in the food and beverage industry, imparting a smoky, spicy taste. Additionally, it serves as a reagent in the laboratory for detecting the presence of blood and other biological fluids. The compound is derived from the pyrolysis of lignin, a complex organic polymer found in plant cell walls, and can also be synthesized from other phenolic compounds.

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  • 6971-52-4 Structure
  • Basic information

    1. Product Name: 3-Methoxy-2-methylphenol
    2. Synonyms: 2-Methyl-3-methoxyphenol;3-Methoxy-2-methylphenol
    3. CAS NO:6971-52-4
    4. Molecular Formula: C8H10O2
    5. Molecular Weight: 138.1638
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 6971-52-4.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 234.5°Cat760mmHg
    3. Flash Point: 109.1°C
    4. Appearance: /
    5. Density: 1.078g/cm3
    6. Vapor Pressure: 0.0345mmHg at 25°C
    7. Refractive Index: 1.53
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 3-Methoxy-2-methylphenol(CAS DataBase Reference)
    11. NIST Chemistry Reference: 3-Methoxy-2-methylphenol(6971-52-4)
    12. EPA Substance Registry System: 3-Methoxy-2-methylphenol(6971-52-4)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 6971-52-4(Hazardous Substances Data)

6971-52-4 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 6971-52-4 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 6,9,7 and 1 respectively; the second part has 2 digits, 5 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 6971-52:
(6*6)+(5*9)+(4*7)+(3*1)+(2*5)+(1*2)=124
124 % 10 = 4
So 6971-52-4 is a valid CAS Registry Number.
InChI:InChI=1/C8H10O2/c1-6-7(9)4-3-5-8(6)10-2/h3-5,9H,1-2H3

6971-52-4SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-methoxy-2-methylphenol

1.2 Other means of identification

Product number -
Other names 3-methoxy-2-methyl-phenol

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:6971-52-4 SDS

6971-52-4Relevant articles and documents

Regiospecific and highly stereoselective formation of benzisochroman-6,9-quinones. Synthesis of (±)-ventilagone and (±)-ventiloquinone H

Blouin,Beland,Brassard

, p. 1466 - 1471 (1990)

An approach known to give regiospecific cycloadditions over a wide range of substrates has been applied to the synthesis of (±)-ventilagone and (±)-ventiloquinone H using a novel, electron-rich heterocyclic diene. The strategy provides for the sole format

Derivatives of m-Guaiacol, Their Preparation and Their Uses

-

Paragraph 0125; 0141, (2021/11/05)

The invention concerns derivatives of m-guaiacol, their preparation and their uses as biocides, in particular as antibacterials or disinfectants.

Tuning the Reactivity of Peroxo Anhydrides for Aromatic C-H Bond Oxidation

Pilevar, Afsaneh,Hosseini, Abolfazl,?ekutor, Marina,Hausmann, Heike,Becker, Jonathan,Turke, Kevin,Schreiner, Peter R.

, p. 10070 - 10079 (2018/09/06)

Phenol moieties are key structural motifs in many areas of chemical research from polymers to pharmaceuticals. Herein, we report on the design and use of a structurally demanding cyclic peroxide (spiro[bicyclo[2.2.1]heptane-2,4′-[1,2]dioxolane]-3′,5′-dione, P4) for the direct hydroxylation of aromatic substrates. The new peroxide benefits from high thermal stability and can be synthesized from readily available starting materials. The aromatic C-H oxidation using P4 exhibits generally good yields (up to 96%) and appreciable regioselectivities.

A scalable synthesis of CE-157119 HCl Salt, an SRI/5-HT2A antagonist

Tao, Yong,Widlicka, Daniel W.,Hill, Paul D.,Couturier, Michel,Young, Gregory R.

, p. 1805 - 1810 (2013/01/15)

A scalable synthesis of CE-157119 HCl salt (1), an SRI/5-HT2A antagonist, was developed via the regioselective SNAr etherification between a phenol and an N-methylamide. This early development route shortened the original 5-step synt

IMIDAZOLIDINEDIONE DERIVATIVES

-

, (2011/06/26)

The invention provides a compound of formula (Ia), and pharmaceutically acceptable salts thereof. The invention also provides use of the compounds or salts as modulators of Kv3.1 and/or Kv3.2, and in the treatment of diseases or disorders where a modulator of Kv3.1 and/or Kv3.2 is required, such as depression and mood disorders, hearing disorders, schizopherenea, substance abuse disorders, sleep disorders or epilepsy.

Microwave-assisted cleavage of aryl methyl ethers with lithium thioethoxide (LiSEt)

Cvengro?, Ján,Neufeind, Stefan,Becker, Anne,Schmalz, Hans-Günther

experimental part, p. 1993 - 1998 (2009/04/07)

Lithium thioethoxide (LiSEt), a white solid easily prepared from EtSH and n-BuLi in hexane, was identified as a highly efficient reagent for the cleavage (O-demethylation) of aryl methyl ethers, i.e. methyl-protected phenols. Of particular synthetic value are applications in the double deprotection of 1,2-dimethoxyarenes (to give catechols) and in the selective monodeprotection of di- and trimethoxyarenes. The thermal reactions, which are usually performed in DMF as a solvent, can be greatly accelerated through microwave irradiation. In this case, the monodemethylated products are usually formed in high (80-99%) yield within only 15 minutes.

SYNTHESIS OF THERAPEUTIC DIPHENYL ETHERS

-

Page/Page column 3-4; 6, (2008/06/13)

This invention is directed to a method of synthesizing compounds of Formula I and to intermediates useful in the synthesis of compounds of Formula I wherein X, Y, R1, R2, R3, and R4 are as defined herein above.

Lewis Acid-Directed Reactions of Quinones with Styrenyl Systems: The Case of 2-Methoxy-3-methyl-1,4-benzoquinone

Engler, Thomas A.,Iyengar, Rajesh

, p. 1929 - 1934 (2007/10/03)

Reactions of 2-methoxy-3-methyl-1,4-benzoquinone with various (E)-1-propenylbenzenes promoted by 1 equiv of Ti(IV), as a 1:1 mixture of TiCl4-Ti(O-i-Pr)4, produce rel-(1S,6R,7R,8R)-8-aryl-4,7-dimethyl-3-methoxybicyclo[4.2.0]oct-3-ene-2,5- diones 3 and trans-2-aryl-3,7-dimethyl-6-methoxy-2,3-dihydro-5-benzofuranols 5 as the major products. Reactions promoted by 2 equiv of Ti(IV) as a 1:1 mixture of TiCl4-Ti(O-i-Pr)4 or 1 equiv of either TiCl4, SnCl4, or BF3·OEt2 give regioisomeric rel-(1R,6S,7A,8R)-7-aryl-4,8-dimethyl-3-methoxybicyclo[4.2.0]oct-3-ene-2,5- diones (4) and/or trans-2-aryl-3,6-dimethyl-7-methoxy-2,3-dihydro-5-benzofuranols (6). A mechanism involving regioselective coordination of the various Lewis acids to the quinone is used to explain the formation of the products. These reactions demonstrate the effective regiocontrol exerted over the reactions by the nature of the Lewis acid promoters. Cyclobutanes 3 and 4 cleanly undergo rearrangement to the corresponding benzofuranols 5 and 6 on treatment with protic acid. In contrast, reactions of 2-methoxy-1,4-benzoquinone promoted by either BF3·OEt2 or Ti(IV), as 1 equiv or excess amounts of TiCl4 or 1:1 TiCl4-Ti(O-i-Pr)4, all afford the same regioisomeric products, i.e., rel-(1S,6R,7R,8R)-8-aryl-7-methyl-3-methoxybicyclo[4.2.0]oct-3-ene-2,5-dione 25 and/or trans-2-aryl-3-methyl-6-meth-oxy-2,3-dihydro-5-benzofuranol 27.

Regioselectivity in the Reductive Cleavage of Pyrogallol Derivatives: Reductive Electrophilic Substitution of Acetals of 2,3-Dimethoxyphenol

Azzena, Ugo,Melloni, Giovanni,Pisano, Luisa

, p. 261 - 266 (2007/10/02)

Acetals of 2,3-dimethoxyphenol were used as the starting materials for the transformation of 1,2,3-trioxygenated benzenes into various 1-oxygenated-2,3-dicarbon-substituted benzenes, via regioselective reductive electrophilic substitution of the 2-methoxy

Ultrasound-promoted synthesis of substituted phenanthrene-1,4-quinones; the structure of plectranthon D

Zhang, Zhao-Rong,Flachsmann, Felix,Moghaddam, Firouz Matloubi,Rueedi, Peter

, p. 2153 - 2156 (2007/10/02)

A series of tanshinone-type diterpenoids was prepared by ultrasound-promoted and Lewis acid catalyzed, highly regioselective cycloadditions of styrenes with substituted 1,4-benzoquinones as the key step.

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