Hydroxycitronellal - Moligand™, ≥98% , Activator of TRPM8, CAS No.107-75-5, Activator of TRPM8

CAS: 107-75-5 Cat. No.: H107521 Peso molecular: 172.26 Número EC: 203-518-7

GRADE & PURITY Moligand™, ≥98%

Synonyms

7-Hydroxy-3,7-dimethyloctanal | 7-Hydroxycitronellal | 3,7-Dimethyl-7-hydroxyoctanal

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

Product Introduction

Hydroxycitronellal is an odorant generally used in cosmetics, washing- and cleaning agents and also as a flavoring agent for foods.

Application

Suitable for 

· contact sensitization studies to identify allergens present in cosmetic preparations

· elucidation of molecular pathways related to allergic reactions

· analytical standard

Specifications

Sinónimos

7-Hydroxy-3, 7-dimethyloctanal | 7-Hydroxycitronellal | 3, 7-Dimethyl-7-hydroxyoctanal

Especificaciones y pureza

Moligand™, ≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

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

Grado

Moligand™

Tipo de acción

ACTIVATOR

Mecanismo de acción

Activator of TRPM8

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488180595
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180595
• Sonrisas canónicas: CC(CCCC(C)(C)O)CC=O
• IUPAC Name: 7-hydroxy-3,7-dimethyloctanal
• InChIKey: WPFVBOQKRVRMJB-UHFFFAOYSA-N
• INCHI: 1S/C10H20O2/c1-9(6-8-11)5-4-7-10(2,3)12/h8-9,12H,4-7H2,1-3H3
• Isómeros SMILES: CC(CCCC(C)(C)O)CC=O
• WGK Alemania: 3
• RTECS: RG7850000
• Peso molecular: 172.26
• Reaxy-Rn: 1721290
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1721290&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Aldehydes
          • Level6 Medium-chain aldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Aldehydes
• Direct Parent: Medium-chain aldehydes
• Alternative Parents: Tertiary alcohols Alpha-hydrogen aldehydes Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Medium-chain aldehyde - Tertiary alcohol - Alpha-hydrogen aldehyde - Organic oxide - Hydrocarbon derivative - Alcohol - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as medium-chain aldehydes. These are an aldehyde with a chain length containing between 6 and 12 carbon atoms.
• External Descriptors: tertiary alcohol

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)

TRPM8 Tclin Transient receptor potential cation channel subfamily M member 8 (1 Activities)

Discover Target: TRPM8

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Air sensitive
• Índice de refracción: 1.446-1.452
• Punto de inflamación (°F): 104 °C
• Punto de inflamación (°C): 104°C
• Punto de ebullición (°C): 241°C
• Peso molecular: 172.260 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 172.146 Da
• Monoisotopic Mass: 172.146 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 130.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referencias

1. Wu Wenqing, Li Simeng, Gu Wei, Tian Rong, Luo Man, Tang Junjie, Tang Min, Wu Yinzhi.  (2024)  Effect of light intensity on the accumulation of protostane triterpenes in Asian water plantain (Alisma orientale).  ACTA PHYSIOLOGIAE PLANTARUM,  46  (3): (1-11).  [PMID:] [10.1007/s11738-024-03668-2]

2. Zhang Tianhao, Tian Yuan, Zhang Chong, Yan Tingting, Yan Hanwen, Zhang Guoliang, Li Jie, Li Zengxi, Wang Gang, Li Chunshan, Zhang Suojiang.  (2025)  Electronically tailored metal-ion-chelation strategy promotes ionic liquid catalysis at near-ambient condition.  Nature Communications,  16  (1): (1-12).  [PMID:41022719] [10.1038/s41467-025-63630-9]