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Isophytol structure
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Isophytol

TL;DR: Isophytol (CAS 505-32-8) is a chemical compound with molecular formula C20H40O and molecular weight 296.30792 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

3,7,11,15-tetramethylhexadec-1-en-3-ol

Also Known As: ISOPHYTOL, 3,7,11,15-Tetramethylhexadec-1-en-3-ol, Cheirolin, isovegetable alcohol, (R,R)-Isophytol

CAS Number
505-32-8
Molecular Formula
C20H40O
Molecular Weight
296.30792 g/mol
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Application Areas

Top 5 of 17 IPC patent classification(s) from the SureChEMBL global patent database.

Agrochemicals (22 patents) Analytical Reagents (2 patents) Biotechnology (33 patents) Catalysts (72 patents) Coatings & Adhesives (3 patents)

Technical Specifications

Molecular FormulaC20H40O
Molecular Weight296.30792 g/mol
XLogP7.8
Topological Polar Surface Area (TPSA)20.2 Ų
Hydrogen Bond Donors1
Hydrogen Bond Acceptors1
Rotatable Bonds13
Exact Mass296.30792 Da
Heavy Atoms21
Complexity259.0
Boiling Point107-110 °C at 0.01 mm Hg; 125-128 °C at 0.06 mm Hg
Density0.8519 at 20 °C/4 °C
Vapor Pressure5.8X10-10 mm Hg at 25 °C (extrapolated)
Refractive IndexIndex of refraction: 1.4571 at 20 °C
SolubilityVery soluble in benzene, ether, ethanol
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)(C=C)O
InChIKeyKEVYVLWNCKMXJX-UHFFFAOYSA-N

Product Description

Applications: Isophytol is used in complex organic molecule assembly across discovery and process chemistry, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Isophytol (CAS 505-32-8) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.

Isophytol (CAS 505-32-8) is a organic building block with the molecular formula C20H40O and a molecular weight of 296.31 g/mol. Key physical properties include a density of 0.8519 at 20 °C/4 °C g/cm³, a solubility: Very soluble in benzene, ether, ethanol. It is also known as ISOPHYTOL and 3,7,11,15-Tetramethylhexadec-1-en-3-ol.

Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.

Chemical Property Profile of Isophytol

XLogP
7.8
TPSA (Topological Polar Surface Area)
20.2
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
Rotatable Bonds
13
Heavy Atoms
21
Complexity
259.0
Exact Mass
296.30792
Monoisotopic Mass
296.30792
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of Isophytol

The XLogP value of 7.8 indicates that Isophytol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, Isophytol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isophytol has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of Isophytol?

The CAS number of Isophytol is 505-32-8.

What is the molecular formula of Isophytol?

The molecular formula of Isophytol is C20H40O.

What is the molecular weight of Isophytol?

The molecular weight of Isophytol is 296.30792 g/mol.

What are the applications of Isophytol?

Isophytol is used in complex organic molecule assembly across discovery and process chemistry, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Isophytol (CAS...

Where can I buy Isophytol?

You can request a quote for Isophytol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for Isophytol?

Yes, CoreyChem provides custom synthesis services for Isophytol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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