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

CAS: 107-75-5 Cat. No.: H107521 Molecular Weight: 172.26 EC Number: 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

Overview

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

Synonyms

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

Specifications & Purity

Moligand™, ≥98%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

ACTIVATOR

Mechanism of action

Activator of TRPM8

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488180595
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180595
• Canonical Smiles: 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
• Isomeric SMILES: CC(CCCC(C)(C)O)CC=O
• WGK Germany: 3
• RTECS: RG7850000
• Molecular Weight: 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
    • Class Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Aldehydes
          • Level6 Medium-chain aldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: 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
• Description: 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

Associated Targets(Human)

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)

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Air sensitive
• Refractive Index: 1.446-1.452
• Flash Point(°F): 104 °C
• Flash Point(°C): 104°C
• Boil Point(°C): 241°C
• Molecular Weight: 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

References

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]