N-DOCOSYL ALCOHOL, ALUMINUM SALT

n-Docosyl alcohol, aluminum salt can also be considered for specialty chemical research involving aluminum alkoxides and long-chain organic ligands.
n-Docosyl alcohol, aluminum salt may be used in the development of specialty coatings and protective formulations designed to improve water resistance and surface performance.
n-Docosyl alcohol, aluminum salt can also serve as a chemical intermediate for the preparation of other long-chain aluminum-containing compounds.

CAS Number: 67905-30-0
EC Number / EINECS Number: 267-649-1
Molecular Formula: C66H135AlO3
Molecular Weight: 1003.76–1003.77 g/mol

SYNONYMS:
1-Docosanol, aluminum salt, 1-Docosanol, aluminum salt (3:1), Aluminium tridocosanolate, Aluminum tridocosanolate, Aluminum docosan-1-olate, aluminum tridocosan-1-olate, Tris(docosan-1-olate)aluminum, Aluminum N-docosoxide, N-Docosyl alcohol, aluminum salt, Aluminium tri(docosan-1-olate), Aluminium tri(docosanolato), Aluminium tris(docosanolate), Aluminium tris(docosan-1-olate), Aluminum tris(docosanolate), Aluminium tridocosanolat, Aluminium tridocosanolate, 67905-30-0, DTXSID8028349, RefChem:318520,DTXCID208349,267-649-1, 1-Docosanol, aluminum salt, 1-Docosanol, aluminum salt (3:1), Aluminum n-docosoxide, EINECS 267-649-1, Aluminium tridocosan-1-olate, ONYTVGOUGQELKQ-UHFFFAOYSA-N, NS00053343

N-Docosyl alcohol, aluminum salt is an aluminum alkoxide derived from 1-docosanol (docosyl alcohol, behenyl alcohol).
n-Docosyl alcohol, aluminum salt is more systematically described as aluminium tridocosanolate or aluminum docosan-1-olate.
The aluminum atom is associated with three docosanolate groups, giving the molecular composition C66H135AlO3.

n-Docosyl alcohol, aluminum salt therefore has a very long hydrophobic hydrocarbon structure combined with aluminum-oxygen bonds.
This structural combination places n-Docosyl alcohol, aluminum salt in the family of long-chain aluminum alkoxides.
n-Docosyl alcohol, aluminum salt is listed in major chemical inventories as 1-Docosanol, aluminum salt, and its CAS number is 67905-30-0.

N-Docosyl Alcohol, Aluminum Salt is an organoaluminum compound derived from n-docosyl alcohol, a long-chain saturated fatty alcohol.
n-Docosyl alcohol, aluminum salt contains aluminum associated with long-chain docosyl alkoxide groups, giving the material a strongly hydrophobic character.
The long hydrocarbon chains contribute to low water solubility and good affinity for non-polar organic systems.
n-Docosyl alcohol, aluminum salt is generally considered a specialty metal-organic material rather than a common laboratory chemical.

The combination of aluminum and long-chain alkyl groups gives n-Docosyl alcohol, aluminum salt properties that can be useful in surface treatment, formulation, and specialty industrial applications.
n-Docosyl alcohol, aluminum salt's physical characteristics may depend on the exact composition, degree of association, and manufacturing method.
Because long-chain aluminum alkoxides are sensitive to moisture, their handling and storage normally require protection from water and excessive humidity.

USES and APPLICATIONS of N-DOCOSYL ALCOHOL, ALUMINUM SALT:
N-Docosyl Alcohol, Aluminum Salt may be used as a specialty hydrophobic additive in industrial formulations.
n-Docosyl alcohol, aluminum salt's long hydrocarbon chains can provide water-repellent characteristics when incorporated into suitable materials.
n-Docosyl alcohol, aluminum salt may be investigated for use in surface-treatment formulations where modification of surface wettability or hydrophobicity is desired.

n-Docosyl alcohol, aluminum salt can also be of interest as an intermediate for preparing other organoaluminum materials and specialty metal-organic formulations.
n-Docosyl alcohol, aluminum salt's compatibility with non-polar organic media can make it useful in selected oil-based or solvent-based systems.

Long-chain aluminum alkoxides may also be studied for applications involving surface modification of inorganic materials, fillers, and particulate substrates.
n-Docosyl alcohol, aluminum salt may have potential applications in coatings and protective formulations where moisture resistance and hydrophobic surface properties are important.

n-Docosyl alcohol, aluminum salt can also be considered for specialty chemical research involving aluminum alkoxides and long-chain organic ligands.
Specific commercial uses for N-Docosyl Alcohol, Aluminum Salt may be limited or poorly documented, so potential applications should not be interpreted as confirmed uses for every grade of the substance.

The appropriate application, concentration, and handling conditions depend on the composition and technical specifications of n-Docosyl alcohol, aluminum salt being supplied.
n-Docosyl alcohol, aluminum salt is primarily used as a specialty organometallic compound and long-chain aluminum alkoxide in chemical research and industrial formulations.

Its long C22 hydrocarbon chains may provide hydrophobic characteristics, making n-Docosyl alcohol, aluminum salt potentially useful in water-repellent and moisture-resistant material systems.
n-Docosyl alcohol, aluminum salt can be investigated as a surface-treatment or surface-modification intermediate where reduced surface energy or improved hydrophobicity is desired.

n-Docosyl alcohol, aluminum salt may be used in the development of specialty coatings and protective formulations designed to improve water resistance and surface performance.
n-Docosyl alcohol, aluminum salt can also serve as a chemical intermediate for the preparation of other long-chain aluminum-containing compounds.
Because of its metal-organic structure, n-Docosyl alcohol, aluminum salt may be studied as a precursor for aluminum-containing materials and surface-modified inorganic systems.

n-Docosyl alcohol, aluminum salt may have potential applications in polymer formulations where long-chain alkyl groups are used to modify surface properties and compatibility.
n-Docosyl alcohol, aluminum salt can also be considered for use in specialty lubricating or anti-friction formulations because long-chain hydrocarbon groups may contribute to boundary lubrication and surface conditioning.

In coatings and related industrial formulations, n-Docosyl alcohol, aluminum salt may be investigated as a hydrophobic additive or functional intermediate.
n-Docosyl alcohol, aluminum salt's combination of aluminum and long-chain hydrocarbon groups may be of interest in the development of water-resistant materials and specialty chemical formulations.

Potential applications of n-Docosyl alcohol, aluminum salt also include research involving metal alkoxides, organometallic synthesis, surface chemistry, and hydrophobic material development.
Because n-Docosyl alcohol, aluminum salt is a specialty chemical with limited widely documented end-use applications, its industrial use should generally be evaluated according to the requirements of the specific formulation or manufacturing process.

-Industrial chemical intermediate uses of n-Docosyl alcohol, aluminum salt:
N-Docosyl alcohol, aluminum salt can be considered an aluminum-organic intermediate for specialized chemical formulations.
Its aluminum alkoxide functionality makes n-Docosyl alcohol, aluminum salt potentially useful where controlled aluminum-organic reactivity is required.

-Aluminum alkoxide chemistry uses of n-Docosyl alcohol, aluminum salt:
n-Docosyl alcohol, aluminum salt's most direct chemical relevance is as a long-chain aluminum alkoxide.
Aluminum alkoxides are used in various areas of materials and inorganic-organic chemistry, including the preparation or modification of aluminum-containing materials.
The long C22 organic groups distinguish n-Docosyl alcohol, aluminum salt from short-chain aluminum alkoxides by providing much stronger hydrophobic and wax-like characteristics.

-Hydrophobic formulations uses of n-Docosyl alcohol, aluminum salt:
The three long hydrocarbon chains provide strong hydrophobicity.
This makes n-Docosyl alcohol, aluminum salt of potential interest in formulations where a long-chain aluminum-organic material is required to modify: Surface properties, Water resistance, Oil compatibility, Rheology, Lubricity, Dispersion.

-Wax and surface-treatment chemistry uses of n-Docosyl alcohol, aluminum salt:
Because the molecule contains three long saturated hydrocarbon chains, n-Docosyl alcohol, aluminum salt has structural characteristics similar to long-chain waxy materials.

This makes long-chain aluminum alkoxides potentially useful as specialty ingredients in surface-treatment and wax-related formulations.
However, the exact commercial application of n-Docosyl alcohol, aluminum salt should be verified against the supplier's technical data because publicly available databases provide considerably less application information for this exact substance than for common aluminum alkoxides.

-Coatings and surface modification uses of n-Docosyl alcohol, aluminum salt:
The hydrophobic hydrocarbon chains can provide compatibility with nonpolar coating components.
Aluminum-containing organic compounds can also contribute to surface modification and film properties.

Potential application areas of n-Docosyl alcohol, aluminum salt therefore include specialized: Coatings, Surface treatments, Water-repellent formulations, Hydrophobic materials.
However, this should be regarded as a potential/specialty application, rather than claiming that every commercial grade is marketed specifically for these purposes.

-Rheology modification uses of n-Docosyl alcohol, aluminum salt:
Long-chain organometallic compounds can influence the physical behavior of hydrophobic formulations.
N-Docosyl alcohol, aluminum salt may therefore be useful in specialty formulations where control of: Viscosity, Consistency, Structure, Dispersion, Gel formation.
Again, the exact rheological performance of n-Docosyl alcohol, aluminum salt is formulation-dependent.

-Lubricant-related applications of n-Docosyl alcohol, aluminum salt:
The three long hydrocarbon chains give n-Docosyl alcohol, aluminum salt substantial affinity for oily and hydrocarbon-based systems.
This structural property makes n-Docosyl alcohol, aluminum salt potentially useful in specialized lubricant and oil formulations where long-chain organometallic additives are required.
However, I would distinguish this from the well-established use of many other aluminum soaps and metal-organic compounds as lubricating greases.
The publicly accessible sources I found do not provide enough evidence to claim that CAS 67905-30-0 itself is a mainstream commercial grease thickener.

BENEFITS of N-DOCOSYL ALCOHOL, ALUMINUM SALT:
The principal technical benefits associated with the structure of N-Docosyl alcohol, aluminum salt include:

High hydrophobicity: 
Three C22 hydrocarbon chains provide strong water-repellent character.

High molecular weight: 
The molecular weight of n-Docosyl alcohol, aluminum salt is approximately 1003.76 g/mol.

Low volatility: 
n-Docosyl alcohol, aluminum salt's large molecular size and long hydrocarbon chains result in very low volatility under ordinary conditions.

Long-chain compatibility: 
n-Docosyl alcohol, aluminum salt has affinity for oils, waxes and other hydrophobic materials.

Aluminum-organic functionality: 
The aluminum alkoxide structure provides chemical functionality not present in ordinary fatty alcohols.

Potential surface-modifying properties: 
The combination of aluminum and long hydrocarbon groups can be useful in specialized surface formulations.

Thermal stability relative to low-molecular-weight organic compounds: 
n-Docosyl alcohol, aluminum salt is a high-molecular-weight solid and has a relatively high calculated boiling temperature.

Specialty formulation potential: 
n-Docosyl alcohol, aluminum salt's unusual combination of metal and long-chain organic groups allows applications that cannot be achieved as readily with simple fatty alcohols.

CHARACTERISTICS of N-DOCOSYL ALCOHOL, ALUMINUM SALT:
N-Docosyl alcohol, aluminum salt can be characterized as:
A long-chain aluminum alkoxide.
A metal-organic compound.
A high-molecular-weight substance.
A hydrophobic compound.
A long-chain organoaluminum material.
A crystalline/solid material.
A low-volatility substance.
A moisture-sensitive aluminum compound.
A material containing three docosanolate groups.
A specialty industrial chemical.
A potential surface-modifying material.
A potential hydrophobic formulation ingredient.

COMPARISON of N-DOCOSYL ALCOHOL, ALUMINUM SALT WITH 1-DOCOSANOL:
It is important not to confuse N-docosyl alcohol, aluminum salt with 1-docosanol.
1-Docosanol has the formula: C22H46O and CAS number: 661-19-8
The aluminum salt has the formula: C66H135AlO3 and CAS number: 67905-30-0
n-Docosyl alcohol, aluminum salt therefore contains three docosanolate units for every aluminum atom.
The OECD/EPA records specifically distinguish the parent 1-docosanol from its aluminum salt.

CHARACTERISTICS of N-DOCOSYL ALCOHOL, ALUMINUM SALT:
N-Docosyl alcohol, aluminum salt is a specialty long-chain aluminum alkoxide with the molecular composition C66H135AlO3 and a molecular weight of approximately 1003.76 g/mol.
n-Docosyl alcohol, aluminum salt's structure consists of one aluminum center associated with three C22 docosanolate chains.

The most significant physical characteristic is n-Docosyl alcohol, aluminum salt's combination of very long hydrocarbon chains and an aluminum-alkoxide center.
The C22 chains make n-Docosyl alcohol, aluminum salt highly hydrophobic, low in volatility and compatible with nonpolar materials, while the aluminum-oxygen functionality gives it chemical reactivity that ordinary long-chain fatty alcohols do not possess.

n-Docosyl alcohol, aluminum salt is consequently best regarded as a specialty industrial aluminum-organic intermediate/material, rather than as a conventional aluminum salt such as aluminum chloride or aluminum sulfate.
Publicly available information on n-Docosyl alcohol, aluminum salt's commercial applications is relatively sparse.

Therefore, applications such as hydrophobic coatings, specialty surface treatments, rheology modification and lubricant-related formulations should be considered specialty or potential applications, whereas the strongest evidence available from the databases concerns n-Docosyl alcohol, aluminum salt's identity as an aluminum alkoxide and its inclusion in industrial chemical inventories.

CHEMICAL STRUCTURE of N-DOCOSYL ALCOHOL, ALUMINUM SALT:
n-Docosyl alcohol, aluminum salt can conceptually be represented as: Al(OC22H45)3
This representation is useful because n-Docosyl alcohol, aluminum salt shows that the compound is not simply a mixture of aluminum and docosanol.
n-Docosyl alcohol, aluminum salt is an aluminum alkoxide, in which the hydroxyl hydrogen of docosanol has been replaced by coordination to aluminum.

Each docosanolate unit contains a straight C22 hydrocarbon chain.
The resulting molecule has three long hydrocarbon chains surrounding the aluminum-oxygen portion.
This gives n-Docosyl alcohol, aluminum salt a strongly lipophilic and hydrophobic character.

SOLUBILITY CHARACTERISTICS of N-DOCOSYL ALCOHOL, ALUMINUM SALT:
N-Docosyl alcohol, aluminum salt has a strongly hydrophobic molecular structure because it contains three long C22 hydrocarbon chains.
Consequently, n-Docosyl alcohol, aluminum salt is expected to have very low water compatibility.
The aluminum alkoxide functionality is also chemically different from an ordinary neutral alcohol.

Aluminum alkoxides can undergo reactions with moisture, so water exposure should not be treated merely as a simple dissolution process.
For practical handling, n-Docosyl alcohol, aluminum salt should therefore be regarded as moisture-sensitive and essentially non-water-soluble unless a particular formulation or grade specifies otherwise.

MOISTURE REACTIVITY of N-DOCOSYL ALCOHOL, ALUMINUM SALT:
The aluminum-oxygen bonds in aluminum alkoxides are susceptible to reaction with water.
Moisture can lead to hydrolysis of aluminum-alkoxide groups and ultimately produce aluminum-containing hydrolysis products together with the corresponding alcohol.

This characteristic of n-Docosyl alcohol, aluminum salt is important for:
Storage.
Transportation.
Processing.
Formulation.
Packaging.
Long-term stability.
For this reason, moisture exclusion is an important consideration when handling aluminum alkoxide materials.

THERMAL CHARACTERISTICS of N-DOCOSYL ALCOHOL, ALUMINUM SALT:
The long C22 hydrocarbon chains give n-Docosyl alcohol, aluminum salt a relatively high molecular weight and contribute to its solid-state character.
The reported melting range around 100–110 °C indicates that n-Docosyl alcohol, aluminum salt  remains solid under ordinary room-temperature conditions but can soften or melt when heated.

A calculated boiling point around 375.9 °C indicates very low volatility compared with ordinary low-molecular-weight organic compounds.
Because decomposition may occur before or around high-temperature boiling conditions, a calculated boiling point should not automatically be interpreted as a practical distillation temperature.

CHEMICAL REACTIVITY of N-DOCOSYL ALCOHOL, ALUMINUM SALT:
The principal chemical characteristic of n-Docosyl alcohol, aluminum salt is the aluminum alkoxide functionality.
n-Docosyl alcohol, aluminum salt can participate in reactions associated with metal alkoxides, especially hydrolysis and alcohol-exchange/transalkoxylation chemistry.

n-Docosyl alcohol, aluminum salt's long-chain organic groups can also influence compatibility with:
Hydrocarbon oils.
Waxes.
Organic polymers.
Hydrophobic coatings.
Nonpolar formulations.
The combination of an inorganic aluminum center and long hydrocarbon chains makes n-Docosyl alcohol, aluminum salt different from both simple aluminum salts and ordinary fatty alcohols.

PHYSICAL and CHEMICAL PROPERTIES of N-DOCOSYL ALCOHOL, ALUMINUM SALT:
Chemical Name: N-Docosyl alcohol, aluminum salt
Preferred/Systematic Name: Aluminium tridocosanolate
IUPAC Name: Aluminum docosan-1-olate
CAS Number: 67905-30-0
EC Number / EINECS Number: 267-649-1
Molecular Formula: C66H135AlO3
Molecular Weight: 1003.76–1003.77 g/mol
PubChem CID: 106035
Chemical Class: Aluminum alkoxide
Substance Type: Metal-organic compound / aluminum alkoxide

Parent Alcohol: 1-Docosanol
Common Parent-Alcohol Name: Behenyl alcohol
Molecular Formula: C66H135AlO3
Molecular Weight: 1003.757838 g/mol
Aluminum Content: One aluminum atom per molecular formula unit
Oxygen Atoms: 3
Carbon Atoms: 66
Hydrogen Atoms: 135
Hydrogen-Bond Donors: 0
Hydrogen-Bond Acceptors: 3

Formal Ionic Representation: [Al+3] with three docosanolate [C22H45O−] groups
InChI: InChI=1S/3C22H45O.Al/c31-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23;/h32-22H2,1H3;/q3*-1;+3
InChIKey: ONYTVGOUGQELKQ-UHFFFAOYSA-N
Canonical Structural Representation: Three docosanolate groups coordinated with Al(III).
Appearance: Typically described as a white crystalline or solid material.
Physical State: Solid under normal ambient conditions.
Molecular Formula: C66H135AlO3.
Molecular Weight: approximately 1003.76 g/mol.
Melting Point: approximately 100–110 °C is reported for material described as 1-docosanol aluminum salt; values can depend on grade and measurement method.

Boiling Point: approximately 375.9 °C at 760 mmHg, calculated/reported value.
Flash Point: approximately 142.5 °C, calculated value.
Water Solubility: Expected to be very low/insoluble because of the three long hydrocarbon chains and the moisture-sensitive aluminum alkoxide functionality.
Hydrophobicity: Very high.
Volatility: Very low at ordinary temperatures.
Physical Character: Long-chain organometallic/aluminum alkoxide.
Functional Group: Aluminum alkoxide / metal–oxygen linkage.
Hydrocarbon Chain: Three C22 saturated chains.
Charge Representation: Neutral overall compound, represented structurally as Al3+ plus three alkoxide anions.

Molecular Weight: 1003.8 g/mol
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 3
Rotatable Bond Count: 60
Exact Mass: 1003.0226616 Da
Monoisotopic Mass: 1003.0226616 Da
Topological Polar Surface Area: 69.2 Ų
Heavy Atom Count: 70

Formal Charge: 0
Complexity: 190
Isotope Atom Count: 0
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Covalently-Bonded Unit Count: 4
Compound Is Canonicalized: Yes

FIRST AID MEASURES of N-DOCOSYL ALCOHOL, ALUMINUM SALT:
-Description of first-aid measures
*General advice:
Show this material safety data sheet to the doctor in attendance.
*If inhaled:
After inhalation: 
Fresh air.
*In case of skin contact: 
Take off immediately all contaminated clothing. 
Rinse skin with
water/ shower.
*In case of eye contact:
After eye contact: 
Rinse out with plenty of water. 
Call in ophthalmologist. 
Remove contact lenses.
*If swallowed:
After swallowing: 
Immediately make victim drink water (two glasses at most). 
Consult a physician.
-Indication of any immediate medical attention and special treatment needed.
No data available

ACCIDENTAL RELEASE MEASURES of N-DOCOSYL ALCOHOL, ALUMINUM SALT:
-Environmental precautions:
Do not let product enter drains.
-Methods and materials for containment and cleaning up:
Cover drains. 
Collect, bind, and pump off spills. 
Observe possible material restrictions. 
Take up dry. 
Dispose of properly. 
Clean up affected area.

FIRE FIGHTING MEASURES of N-DOCOSYL ALCOHOL, ALUMINUM SALT:
-Extinguishing media:
*Suitable extinguishing media:
Carbon dioxide (CO2) 
Foam 
Dry powder
*Unsuitable extinguishing media:
For this substance/mixture no limitations of extinguishing agents are given.
-Further information:
Prevent fire extinguishing water from contaminating surface water or the ground water system.

EXPOSURE CONTROLS/PERSONAL PROTECTION of N-DOCOSYL ALCOHOL, ALUMINUM SALT:
-Control parameters:
--Ingredients with workplace control parameters:
-Exposure controls:
--Personal protective equipment:
*Eye/face protection:
Use equipment for eye protection. 
Safety glasses
*Body Protection:
protective clothing
*Respiratory protection:
Recommended Filter type: Filter A 
-Control of environmental exposure:
Do not let product enter drains.

HANDLING and STORAGE of N-DOCOSYL ALCOHOL, ALUMINUM SALT:
-Conditions for safe storage, including any incompatibilities:
*Storage conditions:
Tightly closed. 
Dry.

STABILITY and REACTIVITY of N-DOCOSYL ALCOHOL, ALUMINUM SALT:
-Chemical stability:
The product is chemically stable under standard ambient conditions (room temperature).
-Possibility of hazardous reactions:
No data available

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