2-(4-Methoxycyclohexa-1,4-dien-1-yl)propan-2-ol CAS 61597-37-3

Key Features

✔ Cyclohexadiene Derivative: Unique conjugated diene structure
✔ Methoxy Functionalization: Enhances electronic properties
✔ Tertiary Alcohol: Stabilized polar group for further derivatization
✔ High Purity: ≥98% by GC analysis
✔ Multi-disciplinary Utility: From synthetic intermediates to material science

Batch-specific CoA available on request.

1. Product Identification

IUPAC Name: 2-(4-Methoxycyclohexa-1,4-dien-1-yl)propan-2-ol
CAS No.: 61597-37-3
Molecular Formula: C₁₀H₁₆O₂
Molecular Weight: 168.23 g/mol
Structural Verification:
- 1H NMR (CDCl₃): δ 6.05 (d, 1H), 5.85 (m, 1H), 3.40 (s, 3H), 1.35 (s, 6H)
- IR (neat): 3400 cm⁻¹ (O-H), 1655 cm⁻¹ (C=C)
- GC-MS: m/z 168 [M]⁺

2. Quality Specifications

Parameter	Specification	Test Method
Purity (GC)	≥98%	GC-FID
Appearance	Colorless to pale yellow liquid	Visual inspection
Water Content	≤0.5% w/w	Karl Fischer
Residual Solvents	≤0.1% (methanol)	GC-FID
Diene Content	≥95% (1,4-addition)	HPLC-UV (254 nm)

3. Physicochemical Properties

Physical State: Liquid at room temperature
Boiling Point: 120–122°C @ 15 mmHg (estimated)
Density: 1.02 g/cm³ (25°C)
Refractive Index: n²⁰D = 1.490 ± 0.005
Solubility:
- Highly soluble: Ethanol, acetone, DCM
- Partially soluble: Water (0.5 g/L)
- Immiscible: Hexane
pKa (estimated): 15–16 (alcohol proton)

4. Product Applications

Organic Synthesis

Diels-Alder Reactions: As diene component for [4+2] cycloadditions
Protecting Group Chemistry: Methoxy group for temporary masking
Chiral Pool Derivative: Potential precursor for terpene-like structures

Material Science

Polymer Modification: Functional monomer for specialty resins
Photoresist Components: As acid-cleavable unit in lithography

5. Packaging & Storage

Primary Packaging:
- ≤100 mL: Amber glass bottles with PTFE-lined caps
- Bulk: UN-certified HDPE jerricans with nitrogen blanket
Storage Conditions:
- Temperature: 2–8°C (recommended for long-term storage)
- Light Protection: Required (UV-sensitive)
- Atmosphere: Argon overlay for oxidation prevention
Shelf Life: 24 months when stored properly

6. Safety & Handling

GHS Classification

H302: Harmful if swallowed
H315: Causes skin irritation
H319: Causes serious eye irritation
H335: May cause respiratory irritation

Handling Precautions

PPE: Nitrile gloves, chemical goggles, fume hood recommended
Ventilation: Local exhaust required for vapor control
Incompatibilities: Strong oxidizers, mineral acids

First Aid Measures

Eye Contact: Immediately flush with copious water (15 min)
Skin Contact: Wash with soap/water, remove contaminated clothing
Ingestion: Do NOT induce vomiting, seek medical attention

Technical Services

Custom Derivatives Available:
- Acetylated alcohol (-OAc)
- Brominated diene
Analytical Support:
- Reaction optimization studies
- Stability testing under various conditions

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.

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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.

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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)
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Inquiry & Ordering Information

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Receive Quote: Our team will provide a formal quotation and lead time.
Place Order: Confirm by issuing an official Purchase Order (PO).

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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.