Coniferyl alcohol - ≥98% , CAS No.458-35-5

CAS: 458-35-5 Cat. No.: C170450 Fórmula: C₁₀H₁₂O₃ Peso molecular: 180.2 Número EC: 207-277-9

GRADE & PURITY ≥98%

Synonyms

4-(3-hydroxyprop-1-en-1-yl)-2-methoxyphenol | 4-[(1E)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenol | (e)-coniferol | Coniferyl?alcohol | Epitope ID:116871 | (E)-4-(3-hydroxyprop-1-enyl)-2-methoxyphenol | SCHEMBL177683 | DTXCID7040447 | (E)-4-(3 -hydroxyprop-1

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Coniferyl alcohol is one of the preferred substrate of the eucalpytus globus enzyme.

Specifications

Sinónimos

4-(3-hydroxyprop-1-en-1-yl)-2-methoxyphenol | 4-[(1E)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenol | (e)-coniferol | Coniferyl?alcohol | Epitope ID:116871 | (E)-4-(3-hydroxyprop-1-enyl)-2-methoxyphenol | SCHEMBL177683 | DTXCID7040447 | (E)-4-(3 -hydroxyprop-1

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504760584
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760584
• Sonrisas canónicas: COC1=C(C=CC(=C1)C=CCO)O
• IUPAC Name: 4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenol
• InChIKey: JMFRWRFFLBVWSI-NSCUHMNNSA-N
• INCHI: 1S/C10H12O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-5,7,11-12H,6H2,1H3/b3-2+
• Isómeros SMILES: COC1=C(C=CC(=C1)/C=C/CO)O
• WGK Alemania: 3
• Peso molecular: 180.2
• Reaxy-Rn: 2048961
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2048961&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenols
• Subclass: Methoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyphenols
• Alternative Parents: Cinnamyl alcohols Styrenes Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Cinnamyl alcohol - Methoxyphenol - Phenoxy compound - Anisole - Methoxybenzene - Styrene - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Primary alcohol - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Aromatic homomonocyclic compound
• Descripción: 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: Coniferyl alcohol derivatives

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

Objetivos asociados (humanos)

LoVo (4724 Activities)

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PC-3 (62116 Activities)

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SK-MEL-28 (48833 Activities)

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A549 (127892 Activities)

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Col2 (437 Activities)

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NCI-H460 (60772 Activities)

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HUVEC (11049 Activities)

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KB (17409 Activities)

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L132 (227 Activities)

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LNCaP (8286 Activities)

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Lu1 (576 Activities)

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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

Discover Target: SLCO1B1

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Objetivos asociados (no humanos)

Staphylococcus aureus (210822 Activities)

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Escherichia coli (133304 Activities)

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Mus musculus (284745 Activities)

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MEF (1005 Activities)

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RAW264.7 (28094 Activities)

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Hsf1 Heat shock factor protein 1 (5445 Activities)

Discover Target: Hsf1

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: solubility alcohol: moderately soluble(lit.) diethyl ether: freely soluble(lit.) water: insoluble (almost)
• Sensibilidad: Light sensitive;Air sensitive
• Punto de ebullición (°C): 163-165 °C/3 mmHg
• Punto de fusión (°C): 75-80°C
• Peso molecular: 180.200 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 180.079 Da
• Monoisotopic Mass: 180.079 Da
• Topological Polar Surface Area: 49.700 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 168.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Referencias

1. Miaolian Ma, Wanpeng Zhou, Yu Zhang, Qisen Huang, Zhixuan Hu, Liuzhang Ouyang.  (2023)  Natural lignin as efficient catalyst for H2 production from NaBH4 methanolysis at low temperature.  Journal of Environmental Chemical Engineering,      [PMID:] [10.1016/j.jece.2023.111615]

2. Xu Yu, Li Yu, Fei Ma, Peiwu Li.  (2020)  Quantification of phenolic compounds in vegetable oils by mixed-mode solid-phase extraction isotope chemical labeling coupled with UHPLC-MS/MS.  FOOD CHEMISTRY,      [PMID:32721834] [10.1016/j.foodchem.2020.127572]

3. Peng-Cheng Chen, Hui Zhang, Pu Zheng.  (2018)  Direct biodegradation of eugenol to coniferyl aldehyde and other higher value-added products by Gibberella fujikuroi ZH-34.  ELECTRONIC JOURNAL OF BIOTECHNOLOGY,      [PMID:] [10.1016/j.ejbt.2018.12.001]

4. Kai Li, Yuan Wang, Xiao Guo, Bo Wang.  (2024)  Effects of Lignin-Diverted Reductant with Polyphenol Oxidases on Cellulose Degradation by Wild and Mutant Types of Lytic Polysaccharide Monooxygenase.  CURRENT ISSUES IN MOLECULAR BIOLOGY,  46  (4): (3694-3712).  [PMID:38666960] [10.3390/cimb46040230]

5. Simin Bi, Jianpeng Ao, Ting Jiang, Xianmiao Zhu, Yimin Zhu, Weibing Yang, Binglian Zheng, Minbiao Ji.  (2024)  Imaging Metabolic Flow of Water in Plants with Isotope-Traced Stimulated Raman Scattering Microscopy.  Advanced Science,  11  (42): (2407543).  [PMID:39301930] [10.1002/advs.202407543]

6. Yajun Li, Runhui Li, Junzhong Shang, Kaige Zhao, Yaqi Sui, Zhenhua Liu, Huijun Yan, Manzhu Bao, Mei Liang, Qiao Zhao, Yao-Wu Yuan, Guogui Ning.  (2025)  A de novo-originated gene drives rose scent diversification.  CELL,      [PMID:40902596] [10.1016/j.cell.2025.08.011]

7. Jiazeng Yang, Jincai Liang, Lei Shao, Lihong Liu, Ke Gao, Jun-Liang Zhang, Zhenjiao Sun, Wendong Xu, Pengcheng Lin, Rongmin Yu, Jiachen Zi.  (2020)  Green production of silybin and isosilybin by merging metabolic engineering approaches and enzymatic catalysis.  METABOLIC ENGINEERING,      [PMID:32004707] [10.1016/j.ymben.2020.01.007]

8. Yunxuan Liu, Xinjia Wang, Rong Lian, Yan Zhao, Yurong Zhou, Yuan Yu, Wenqin She, Zhixiong Guo, Heli Pan, Tengfei Pan.  (2026)  Genome-Wide Identification of CmPOD Genes and Partial Functional Characterization of CmPOD52 in Lignin-Related Granulation of ‘Sanhong’ Pomelo (Citrus maxima).  Horticulturae,  12  (1): (106).  [PMID:] [10.3390/horticulturae12010106]

9. Jiazeng Yang, Yajing Fan, Howard H. Chou.  (2026)  Metal ions program flavonolignan biosynthesis and enable photo-biohybrid production.  METABOLIC ENGINEERING,      [PMID:42501857] [10.1016/j.ymben.2026.102506]

Preguntas frecuentes

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 ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 458-35-5, the molecular formula is C10H12O3, and the molecular weight is 180.2 g/mol. InChIKey JMFRWRFFLBVWSI-NSCUHMNNSA-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.