2-Hydroxy-5-methoxybenzaldehyde - ≥98% , CAS No.672-13-9

CAS: 672-13-9 Cat. No.: H113429 Molecular Weight: 152.15 Beilstein Registry Number: 1100532 EC Number: 211-589-0

GRADE & PURITY ≥98%

Synonyms

BRN 1100532 | AM20040993 | CL8287 | EN300-17188 | 5-Methoxysalicylaldehyde | 5-methoxy-salicylaldehyde | 6-Hydroxy-m-anisaldehyde | FT-0600619 | STL374089 | Z56899054 | 3-methoxy-6-hydroxybenzaldehyde | AKOS000112554 | NSC30116 | NSC-30116 | Z4S3JZC091 |

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

2-Hydroxy-5-methoxybenzaldehyde has acaricidal activity against Tyrophagus putrescentiae.

Specifications

Synonyms

BRN 1100532 | AM20040993 | CL8287 | EN300-17188 | 5-Methoxysalicylaldehyde | 5-methoxy-salicylaldehyde | 6-Hydroxy-m-anisaldehyde | FT-0600619 | STL374089 | Z56899054 | 3-methoxy-6-hydroxybenzaldehyde | AKOS000112554 | NSC30116 | NSC-30116 | Z4S3JZC091 |

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488186934
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186934
• Canonical Smiles: COC1=CC(=C(C=C1)O)C=O
• IUPAC Name: 2-hydroxy-5-methoxybenzaldehyde
• InChIKey: FZHSPPYCNDYIKD-UHFFFAOYSA-N
• INCHI: 1S/C8H8O3/c1-11-7-2-3-8(10)6(4-7)5-9/h2-5,10H,1H3
• Isomeric SMILES: COC1=CC(=C(C=C1)O)C=O
• WGK Germany: 3
• RTECS: BZ2800000
• Molecular Weight: 152.15
• Beilstein: 1100532
• Reaxy-Rn: 1100532
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1100532&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenols
• Subclass: Methoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyphenols
• Alternative Parents: Hydroxybenzaldehydes 4-alkoxyphenols Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Methoxyphenol - 4-alkoxyphenol - Hydroxybenzaldehyde - Phenoxy compound - Anisole - Benzaldehyde - Methoxybenzene - Benzoyl - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Aryl-aldehyde - Monocyclic benzene moiety - Vinylogous acid - Ether - Aldehyde - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic homomonocyclic compound
• Description: 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: Not available

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Miscible with chloroform. Slightly miscible with water.
• Sensitivity: Air sensitive.
• Freezing Point(°C): 14 °C
• Refractive Index: 1.577-1.579
• Flash Point(°F): 235.4 °F
• Flash Point(°C): 113 °C
• Boil Point(°C): 248°C
• Melt Point(°C): 4°C
• Molecular Weight: 152.150 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 152.047 Da
• Monoisotopic Mass: 152.047 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 135.000
• 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

References

1. Guanhong Liu, Peipei Ren, Fan Yang, Xuekai Dou, Jun Wang, Youtao Song.  (2018)  Two novel colorimetric probes (5-HMBA-FH and 3-HMBA-FH) based on fluorescein for copper(II) ion detection.  Canadian Journal of Chemistry,  96  (12):   [PMID:] [10.1139/cjc-2018-0105]

2. Yan Bao, Lu Gao, Pei Han, Feng Liu, Junbing Zhou, Wenbo Zhang.  (2024)  Multi-color photochromic waterborne polyurethane with high color fastness from hydroxyl-functionalized trichromatic spiropyrans.  DYES AND PIGMENTS,      [PMID:] [10.1016/j.dyepig.2024.112577]

3. Kun Zhang, Ni Dan, Ruo-Yu Zhang, Jiaojiao Wei, Rui-Xue Tian, Yongfan Zhang, Hong-Ru Fu, Mei Qiu, Lu-Fang Ma, Shuang-Quan Zang.  (2025)  Multi-Stimuli-Responsive Circularly Polarized Luminescence with Handedness Inversion and Near-Infrared Phosphorescence in Chiral Metal-Organic Framework Platform for White Light Emission and Information Encryption.  Advanced Science,      [PMID:40091696] [10.1002/advs.202502784]

4. Guo Kexin, Yang Xuehan, Zhou Chao, Li Chuang.  (2024)  Self-regulated reversal deformation and locomotion of structurally homogenous hydrogels subjected to constant light illumination.  Nature Communications,  15  (1): (1-12).  [PMID:38402204] [10.1038/s41467-024-46100-6]

5. Shi-Ting Zhang, Panpan Li, Caiyun Liao, Tingting Luo, Xingming Kou, Dan Xiao.  (2018)  A highly sensitive luminescent probe based on Ru(II)-bipyridine complex for Cu2+, l-Histidine detection and cellular imaging.  SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,      [PMID:29751349] [10.1016/j.saa.2018.05.001]