5-(2-Methyloctan-2-yl)benzene-1,3-diol CAS 56469-10-4

Key Features

✔ Branch-Chain Alkylphenol: Unique hydrophobic-hydrophilic balance
✔ Diol Functionality: Dual reactive sites for chelation & derivatization
✔ High Purity: ≥98% by HPLC (UV detection at 280 nm)
✔ Biomimetic Applications: Structural mimic of natural alkylresorcinols
✔ Thermal Stability: Decomp. >200°C enables high-temp processing
✔ Production Capacity: Mass production ensured (monthly output 500kg+)
✔ Ready Stock: Available for immediate shipment
✔ Fast Delivery: Global express shipping (5-8 business days)

Batch-specific CoA available on request.

1. Product Identification

IUPAC Name: 5-(2-Methyloctan-2-yl)benzene-1,3-diol
CAS No.: 56469-10-4
Molecular Formula: C₁₅H₂₄O₂
Molecular Weight: 236.35 g/mol
Structural Verification:
- 1H NMR (DMSO-d₆): δ 8.70 (s, 2H, OH), 6.15 (d, 2H, Ar-H), 6.05 (t, 1H, Ar-H), 1.55 (m, 2H, CH₂), 1.25 (br s, 10H, -(CH₂)₅-), 1.10 (s, 6H, C(CH₃)₂)
- FTIR (KBr): 3300 cm⁻¹ (phenolic OH), 1605 cm⁻¹ (aryl C=C)
- LC-MS: m/z 237 [M+H]⁺

2. Quality Specifications

Parameter	Specification	Test Method
Purity (HPLC)	≥98%	RP-C18, 30°C, 1 mL/min
Melting Point	78–82°C	Differential scanning calorimetry
Heavy Metals (Pb)	≤5 ppm	ICP-OES
Residual Solvents	≤500 ppm hexane	GC-FID
Phenolic Content	≥95% as diol	Potentiometric titration

3. Physicochemical Properties

Appearance: Off-white crystalline powder
Solubility:
- Highly soluble: Ethanol (>100 mg/mL), DMSO
- Moderately soluble: Ethyl acetate (20 mg/mL)
- Practically insoluble: Water (<0.1 mg/mL)
Partition Coefficient: logP = 4.2 ± 0.2 (octanol/water)
pKa Values:
- pKa₁ = 9.3 (first hydroxyl)
- pKa₂ = 10.8 (second hydroxyl)
UV Characteristics: λmax = 276 nm (ε = 3200 M⁻¹cm⁻¹)

4. Product Applications

Industrial Uses

Antioxidant Additive: For lubricants & polymers (replaces BHT/BHA)
Metal Chelation: Forms stable complexes with Fe³⁺/Cu²⁺
Surfactant Intermediate: Ethoxylation yields nonionic surfactants

Biomedical Research

Antimicrobial Studies: Structure-activity against Gram+ bacteria
Tyrosinase Inhibition: Potential skin-lightening applications
Lipid Peroxidation: Reference standard for oxidative stress assays

5. Packaging & Storage

Primary Containers:
- 25–100 g: Amber glass vials with PTFE-lined caps
- Bulk: Double PE bags in fiber drums
Storage Conditions:
- Temperature: 15–25°C (desiccated)
- Humidity: ≤40% RH
- Light Protection: Mandatory
Shelf Life: 36 months when unopened

6. Safety & Handling

GHS Classification

H302: Harmful if swallowed
H315: Causes skin irritation
H318: Causes serious eye damage
H411: Toxic to aquatic life (chronic)

Safety Measures

PPE: PVC gloves + goggles + lab coat
Spill Control: Absorb with vermiculite, neutralize with dilute NaOH
Decontamination: 10% ethanol/water solution

First Aid

Eye Contact: Immediate irrigation (minimum 15 min)
Ingestion: Administer activated charcoal (1 g/kg)
Skin Exposure: Wash with copious PEG-400

Technical Support

Derivative Services:
- Diacetate ester (CAS on request)
- Sulfated forms for enhanced water solubility
Custom Analysis:
- Radiolabeling (¹⁴C at benzylic position)
- Chiral HPLC method development

Product MOQ

We understand that your requirements vary across different stages, from R&D and pilot scale to commercial production. Therefore, we support both:

R&D Samples: We offer sample sizes from gram to kilogram scale to support your early-stage project evaluation.
Commercial Supply: We provide standard industrial packaging (e.g., 25kg drums, 200kg drums) and have a stable capacity for bulk supply.

For detailed information on the Minimum Order Quantity (MOQ) for a specific product or to discuss custom packaging solutions, please contact our sales team.

Our Customization Capabilities Include

We bridge the gap between your concept and a commercial-ready product. Our flexible manufacturing and expert R&D team empower us to deliver fully customized chemical solutions.

Custom Synthesis: We develop molecules from lab scale to industrial production.
Specification Adjustment: We modify purity, form, and other key parameters to fit your application.
Flexible Packaging: We provide custom packaging and labeling to streamline your supply chain.

Tell us your challenge. We’ll build the solution.

Large or Small Order

Sample and bulk orders are welcome.
Supplying from grams to tons. Inquire for pricing.
We treat every order with the same dedication, large or small.

Technical Downloads

Technical Data Sheet (TDS)
Safety Data Sheet (SDS)
Request Certificate of Analysis (CoA)
Request a Quote

Inquiry & Ordering Information

Submit Inquiry: Contact us with the Product/CAS No., Quantity, and Purity requirements.
Receive Quote: Our team will provide a formal quotation and lead time.
Place Order: Confirm by issuing an official Purchase Order (PO).

Questions? Contact Us anytime.

Custom Synthesis Service

Certified Quality Control

Shipping Order Track

Strict Confidentiality

VIP Customer Service

Reischbio provides confidential custom synthesis services, structured for innovative companies requiring unique and proprietary molecules. Our expert chemists leverage state-of-the-art reaction technologies to tackle complex, multi-step synthesis projects, from milligrams to multi-kilogram scale. Governed by strict IP protection protocols, we function as a seamless extension of your R&D team. Our agile project management and transparent communication ensure projects are delivered on-time and on-spec. With our bespoke chemistry solutions, we empower you to overcome scientific challenges, secure critical IP, and accelerate your path to innovation.