Guaiacol - ≥98% , CAS No.90-05-1

CAS: 90-05-1 Cat. No.: G112735 분자식: C₇H₈O₂ 분자량: 124.14 Beilstein Registry Number: 508112 EC 번호: 201-964-7

등급 & 순도 ≥98%

Synonyms

o-Hydroxyanisole | Creasote | orthomethoxyphenol | ortho-methoxyphenol | MLS001055375 | NCGC00090827-04 | 3-methoxy-4-hydroxy benzene | GUAIACOL (USP-RS) | Guaiacol, oxidation indicator | ghl.PD_Mitscher_leg0.900 | hydroxyl anisole | Methylcatechol | MFCD

Storage

Room temperature,Argon charged

Shipped In

Normal

개요

Guaiacol is a phenolic natural product first isolated from Guaiac resin, as well as the oxidation of lignin. Guaiacol is readily oxidized by the heme iron of peroxidases including the peroxidase of cyclooxygenase (COX) enzymes, hence it serves a reducing co-substrate for COX reactions.1 The color yield per peroxide at 470 nm is 6,650 (M peroxide reduced)-1 cm-1.2,3,4 Two moles of zguaiacol are oxidized for each mole of hydroperoxide reduced by the peroxidase. The resulting guaiacol chromophore can be used for the colorimetric determination of hydroperoxidase activity.
A phenolic natural product and reducing co-substrate for COX reactions.

사양

동의어

o-Hydroxyanisole | Creasote | orthomethoxyphenol | ortho-methoxyphenol | MLS001055375 | NCGC00090827-04 | 3-methoxy-4-hydroxy benzene | GUAIACOL (USP-RS) | Guaiacol, oxidation indicator | ghl.PD_Mitscher_leg0.900 | hydroxyl anisole | Methylcatechol | MFCD

사양 및 순도

≥98%

생화학 및 생리적 메커니즘

愈创木酚和2，4，6-三氯苯甲醚是造成葡萄酒软木污染的原因

보관 조건

Room temperature,Argon charged

배송

Normal

순수함

≥98%

이름과 식별자

Pubchem Sid

504750391

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504750391

정식 스마일

COC1=CC=CC=C1O

IUPAC Name

2-methoxyphenol

InChIKey

LHGVFZTZFXWLCP-UHFFFAOYSA-N

INCHI

1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3

이성체 SMILES

COC1=CC=CC=C1O

WGK 독일

1

RTECS

SL7525000

분자량

124.14

Beilstein

508112

Reaxy-Rn

508112

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=508112&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Phenols
      • Subclass Methoxyphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Phenols
• Subclass: Methoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyphenols
• Alternative Parents: Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Methoxyphenol - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as methoxyphenols. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.
• External Descriptors: a guaiacol

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

관련 대상(인간)

CA2 Tclin Carbonic anhydrase II (17698 Activities)

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ALOX5 Tclin Arachidonate 5-lipoxygenase (6568 Activities)

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AR Tclin Androgen Receptor (11781 Activities)

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TYR Tclin Tyrosinase (717 Activities)

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TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

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CACNA1C Tclin Voltage-gated L-type calcium channel alpha-1C subunit (766 Activities)

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CA1 Tclin Carbonic anhydrase I (13240 Activities)

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MMP3 Tchem Matrix metalloproteinase 3 (3433 Activities)

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MMP8 Tchem Matrix metalloproteinase 8 (1942 Activities)

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MMP1 Tchem Matrix metalloproteinase-1 (7046 Activities)

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TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

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U-251 (51189 Activities)

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U-87 MG (3946 Activities)

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Lymphoblastoid cell (5959 Activities)

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QPCT Tchem Glutaminyl-peptide cyclotransferase (1121 Activities)

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ABCB11 Tchem Bile salt export pump (2311 Activities)

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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

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ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)

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관련 대상(비인간)

ampC Beta-lactamase AmpC (62480 Activities)

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Nos2 Nitric oxide synthase, inducible (3573 Activities)

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Mmp2 Matrix metalloproteinase-2 (12 Activities)

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Mmp9 Matrix metalloproteinase 9 (38 Activities)

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Staphylococcus aureus (210822 Activities)

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Bacillus subtilis (32866 Activities)

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Plasmodium falciparum (966862 Activities)

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Candida albicans (78123 Activities)

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Nakaseomyces glabratus (9108 Activities)

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Candida tropicalis (8381 Activities)

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Trichoplusia ni (986 Activities)

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Mus musculus (284745 Activities)

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L1210 (27553 Activities)

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Vero (26788 Activities)

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lef Anthrax lethal factor (7585 Activities)

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Lasiodiplodia theobromae (193 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

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Nr1i2 Nuclear receptor subfamily 1 group I member 2 (14 Activities)

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Diplodia seriata (145 Activities)

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Botryosphaeria dothidea (71 Activities)

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Neofusicoccum ribis (37 Activities)

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작용 메커니즘

화학 및 물리적 특성

• 용해성: Miscible with carbon tetrachloride, alcohol, chloroform, ether, oils, glacial acetic acid and sodium hydroxide solution. Slightly miscible with water and petroleum ether.
• 감도: Light & Air & Moisture sensitive
• 동결점(°C): 28 °C
• 굴절률: 1.543-1.545
• 발화점(°F): 179.6 °F
• 발화점(°C): 82℃
• 끓는점(°C): 205°C
• 녹는점(°C): 27-29°C
• 분자량: 124.140 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 124.052 Da
• Monoisotopic Mass: 124.052 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 83.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 90-05-1, the molecular formula is C7H8O2, and the molecular weight is 124.14 g/mol. InChIKey LHGVFZTZFXWLCP-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.