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

CAS: 107-75-5 Cat. No.: H107521 Formula: C₁₀H₂₀O₂ 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
• x_refractive_index: 1.446-1.452
• x_flash_point_drop_fahrenheit: 104 °C
• x_flash_point_drop_centigrade: 104°C
• x_boil_point_char: 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

Frequently Asked Questions

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.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at ?20 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 107-75-5, the molecular formula is C10H20O2, and the molecular weight is 172.26 g/mol. InChIKey WPFVBOQKRVRMJB-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.