CEROPLASTIC ACID

Ceroplastic acid is characterized by its long hydrocarbon chains, which provide hydrophobicity, lubrication, and surface-modifying properties.
Ceroplastic acid features a straight, unbranched hydrocarbon chain of 34 carbon atoms attached to a carboxylic acid group, rendering it highly lipophilic with a computed logP value of approximately 12.96 and a topological polar surface area of 37.3 Ų.
Ceroplastic acid is widely utilized as a plasticizing and softening agent, improving flexibility and workability in materials such as plastics, rubbers, and wax blends.

CAS Number: 38232-05-2
Molecular Formula: C35H70O2
Molecular Weight: 522.9291 g/mol

Synonyms: Ceroplastic acid, pentatriacontanoic acid, 38232-05-2, M78J737BEQ, DTXSID50415221, RefChem:1094537, DTXCID00366072, n-pentatriacontanoic acid, UNII-M78J737BEQ, C35:0, SCHEMBL336639, CHEBI:165440, HVUCKZJUWZBJDP-UHFFFAOYSA-N, LMFA01010035, FA 35:0, FA(35:0), Q2823251, 38232-05-2, Acide pentatriacontanoïque, Ceroplastic acid, Pentatriacontanoic acid, Pentatriacontansäure, C35:0, LMFA01010035

Ceroplastic acid is a fatty acid–based, wax-like organic compound commonly used as a multifunctional additive in industrial formulations.
Ceroplastic acid is characterized by its long hydrocarbon chains, which provide hydrophobicity, lubrication, and surface-modifying properties.

Ceroplastic acid typically appears as a solid or semi-solid material with good compatibility in polymer, coating, and cosmetic systems.
Ceroplastic acid is widely utilized as a plasticizing and softening agent, improving flexibility and workability in materials such as plastics, rubbers, and wax blends.

Ceroplastic acid also functions as a dispersing aid and processing additive, enhancing stability and uniformity in formulations.
Additionally, Ceroplastic acid contributes to water resistance, gloss enhancement, and surface smoothness in coatings and finishing applications.

Ceroplastic acid represents a significant member of the very-long-chain saturated fatty acids, occupying a position between the more common shorter-chain fatty acids and the extremely long-chain compounds found in natural waxes.
This C₃₅ straight-chain carboxylic acid belongs to the n-alkanoic acid series, characterized by the general formula CH₃(CH₂)ₙCOOH where n = 33.

Ceroplastic acid's substantial hydrocarbon backbone dominates its physical properties and chemical behavior, placing it in the category of waxy solids rather than liquids typical of shorter-chain fatty acids.
Industrial interest in Ceroplastic acid stems from its utility as a precursor for specialty esters and its role in modifying the physical properties of synthetic materials.

Ceroplastic acid is a 35-carbon-long saturated aliphatic carboxylic acid.
The name is derived from the Latin word cerotus, which in turn was derived from the Ancient Greek word κηρός (keros), meaning beeswax or honeycomb, combined with "plastic" from the Latin plasticus (meaning of molding, from Greek plastikos, from plassein to mold, form).

Ceroplastic acid is a long-chain saturated fatty acid with molecular formula C₃₅H₇₀O₂ and molar mass 522.93 g·mol⁻¹.
This waxy solid compound exhibits characteristic properties of high molecular weight carboxylic acids, including a melting point range of 96-98°C.

Ceroplastic acid derives its name from the Latin "cerotus" (wax) and Greek "plastikos" (molding), reflecting its physical characteristics and historical applications.
Ceroplastic acid demonstrates limited solubility in polar solvents but dissolves readily in nonpolar organic media.

Ceroplastic acid's chemical behavior follows typical carboxylic acid reactivity patterns, participating in esterification, salt formation, and other characteristic acid-base reactions.
The extended hydrocarbon chain confers distinctive physical properties including high melting temperature, low volatility, and pronounced hydrophobic character.

Ceroplastic acid is a very long-chain saturated fatty acid with the molecular formula C35H70O2 and a molar mass of 522.94 g/mol.
Ceroplastic acid features a straight, unbranched hydrocarbon chain of 34 carbon atoms attached to a carboxylic acid group, rendering it highly lipophilic with a computed logP value of approximately 12.96 and a topological polar surface area of 37.3 Ų.

Classified within the fatty acyls category as a straight-chain fatty acid (FA 35:0), Ceroplastic acid belongs to the broader group of very long-chain fatty acids (VLCFAs) exceeding 22 carbon atoms in length.
Ceroplastic acid occurs naturally in various insect species, where it contributes to the composition of cuticular lipids that provide protective functions such as preventing desiccation, aiding thermoregulation, and deterring predators or pathogens.

Ceroplastic acid has been identified in organisms including the mealworm beetle (Tenebrio molitor), Formosan subterranean termite (Coptotermes formosanus), Oriental cockroach (Blatta orientalis), fruit fly (Drosophila melanogaster), and honey bee (Apis mellifera).
As a VLCFA, Ceroplastic acid plays a role in insect lipid metabolism, potentially serving as a component of cell membranes, an energy reserve, or a precursor for waxes, pheromones, and defensive secretions, though specific biochemical pathways or quantitative distributions remain underexplored.

Beyond its biological context, Ceroplastic acid is documented in chemical databases for analytical and structural studies, with applications in metabolomics and lipidomics research due to its presence in spectral libraries for mass spectrometry identification.
Ceroplastic acid's extreme chain length makes it one of the longest naturally occurring saturated fatty acids, highlighting its niche significance in understanding long-chain lipid diversity across taxa.

Applications and Uses of Ceroplastic Acid:
Like many other carboxylic acids, Ceroplastic acid can react with UV curable moiety alcohols to form reactive esters, such as 2-allyloxyethanol.

Ceroplastic acid is widely used in the plastics and polymer industry as a plasticizer and processing aid to improve flexibility, reduce brittleness, and enhance workability during manufacturing.
Ceroplastic acid is applied in coatings, paints, and surface treatments to provide improved gloss, water repellency, and smoother film formation.

Ceroplastic acid is utilized in rubber and elastomer formulations to enhance softness, elasticity, and processing performance.
Ceroplastic acid is incorporated into wax blends and polishes to improve spreadability, shine, and protective surface properties.

Ceroplastic acid is used in cosmetics and personal care products as an emollient and texture-enhancing agent, contributing to smooth application and skin conditioning.
Ceroplastic acid is also employed in adhesives and sealants to improve flexibility, adhesion performance, and stability of the final formulation.

Industrial and Commercial Applications:
Ceroplastic acid serves primarily as a chemical intermediate in the production of specialty esters and wax formulations.
Ceroplastic acid finds application in the manufacture of synthetic waxes where it imparts hardness and high melting characteristics.

Ester derivatives, particularly those formed with long-chain alcohols, function as effective viscosity modifiers and consistency regulators in lubricants and cosmetic formulations.
The sodium and potassium salts act as surfactants with unusual solubility characteristics due to the extended hydrocarbon chain, finding niche applications in specialized emulsion systems.
In polymer processing, Ceroplastic acid and its derivatives function as lubricants and release agents, particularly in high-temperature processing operations where lower molecular weight compounds would volatilize.

Research Applications and Emerging Uses:
Research applications of Ceroplastic acid focus primarily on its role as a model compound for studying the physical properties of long-chain organic molecules.
Ceroplastic acid serves as a standard in chromatography for characterizing stationary phase behavior toward very hydrophobic analytes.

Materials science investigations utilize Ceroplastic acid in the development of self-assembled monolayers and Langmuir-Blodgett films, where its extended chain length promotes ordered packing arrangements.
Emerging applications include use as a phase change material for thermal energy storage, leveraging its high heat of fusion and sharp melting transition.
Investigations continue into catalytic decarboxylation pathways for renewable diesel production, though economic factors currently limit practical implementation.

Industrial uses:
Ceroplastic acid and its derivatives have limited niche applications due to the compound's rarity and challenges in synthesis, often requiring multi-step chemical processes.
Ceroplastic acid's long hydrocarbon chain provides high melting points and hydrophobic properties, making it suitable for specific uses.
In printing technologies, Ceroplastic acid is incorporated into curable solid ink compositions as a component of functionalized waxes, aiding in phase change properties for reliable jetting and adhesion at elevated temperatures.

Research applications:
Ceroplastic acid, serves as a model compound in lipidomics and metabolomics research due to its status as a very long-chain saturated fatty acid (VLCFA).
Ceroplastic acid is employed in mass spectrometry-based studies, including as a calibration standard for profiling lipid compositions in biological fluids and tissues.

In insect physiology research, Ceroplastic acid plays a key role in studies of cuticular lipid function, where it contributes to the exoskeleton's barrier properties.
As a component of cuticular hydrocarbons in species such as Tenebrio molitor (mealworm), Coptotermes formosanus (Formosan subterranean termite), Blatta orientalis (Oriental cockroach), Drosophila melanogaster (fruit fly), and Apis mellifera (honeybee), Ceroplastic acid aids in desiccation resistance, thermoregulation, pathogen defense, and semiochemical signaling for species recognition and mating.

These applications extend to entomological biocontrol strategies, where modulating VLCFA synthesis could enhance susceptibility to entomopathogenic fungi, and forensic science, via lipid profiling for estimating post-mortem intervals in insect-colonized remains.
Emerging biomedical research highlights Ceroplastic acid's potential in anticancer studies, particularly when present in extracts from plant sources such as Alpinia purpurata.
Studies on Alpinia purpurata extracts have demonstrated anticancer activity against prostate cancer models in rats induced by N-methyl-N-nitrosourea (MNU) and testosterone, supporting further exploration of VLCFAs as natural product-derived leads, though specific in vitro cytotoxic effects and in vivo validation require additional confirmation.

Molecular Structure and Bonding of Ceroplastic Acid:

Molecular Geometry and Electronic Structure:
The Ceroplastic acid molecule consists of a thirty-five carbon atom saturated hydrocarbon chain terminated by a carboxylic acid functional group.
The carbon atoms adopt sp³ hybridization throughout the alkyl chain, with bond angles approximating the tetrahedral value of 109.5°.

The carboxylic acid group displays sp² hybridization at the carbonyl carbon, with bond angles of approximately 120° consistent with trigonal planar geometry.
The electronic structure features a highly polarized carbonyl group with calculated dipole moments of approximately 1.7 Debye for the carboxylic acid moiety, though the extensive nonpolar hydrocarbon chain reduces the overall molecular polarity significantly.
Molecular orbital analysis indicates highest occupied molecular orbitals localized primarily on the oxygen atoms of the carboxyl group, while the lowest unoccupied molecular orbitals reside predominantly on the carbonyl functionality.

Chemical Bonding and Intermolecular Forces:
Covalent bonding in Ceroplastic acid follows established patterns for saturated hydrocarbons and carboxylic acids.
Carbon-carbon bond lengths measure 1.54 Å throughout the alkyl chain, while carbon-oxygen bonds in the carboxyl group measure 1.36 Å for the C=O bond and 1.23 Å for the C-OH bond.

The extensive hydrocarbon chain dominates intermolecular interactions, with London dispersion forces providing the primary cohesive energy in the solid state.
These van der Waals interactions strengthen progressively with increasing chain length, accounting for the relatively high melting point compared to shorter-chain analogues.

The carboxylic acid functionality enables strong hydrogen bonding between adjacent molecules, forming characteristic dimeric structures in the solid state through O-H···O hydrogen bonds with typical lengths of 1.8 Å.
This dimerization persists in nonpolar solvents but dissociates in polar protic media.

Physical Properties of Ceroplastic Acid:

Phase Behavior and Thermodynamic Properties:
Ceroplastic acid presents as a white, waxy solid at room temperature with a characteristic crystalline structure.
Ceroplastic acid melts between 96°C and 98°C, reflecting the strong intermolecular forces characteristic of long-chain fatty acids.

The boiling point exceeds 350°C but decomposition typically occurs before boiling can be observed at atmospheric pressure.
The heat of fusion measures approximately 45 kJ·mol⁻¹, consistent with values for similar long-chain fatty acids.

Density measurements indicate values of 0.85 g·cm⁻³ in the solid state at 25°C.
Ceroplastic acid exhibits extremely low vapor pressure at room temperature, with sublimation becoming noticeable only above 80°C.

Solubility characteristics demonstrate marked hydrophobicity, with negligible solubility in water but high solubility in nonpolar organic solvents including hexane, chloroform, and toluene.
The refractive index measures 1.43 at the sodium D line and 20°C.

Spectroscopic Characteristics:
Infrared spectroscopy of Ceroplastic acid reveals characteristic absorption bands at 1705 cm⁻¹ corresponding to the carbonyl stretching vibration of the carboxylic acid dimer.
The broad O-H stretching absorption appears centered at 3000 cm⁻¹, while C-H stretching vibrations of the methylene groups occur at 2920 cm⁻¹ and 2850 cm⁻¹.

Methylene bending vibrations produce strong absorptions at 1465 cm⁻¹ and 720 cm⁻¹, the latter indicative of long-chain methylene sequences.
Proton nuclear magnetic resonance spectroscopy shows a triplet at δ 0.88 ppm for the terminal methyl group, a broad singlet at δ 11.2 ppm for the carboxylic acid proton, and a complex multiplet between δ 1.2-1.4 ppm for the methylene protons.
Carbon-13 NMR spectroscopy displays signals at δ 180.2 ppm for the carbonyl carbon, δ 34.1 ppm for the α-methylene carbon, δ 22.7 ppm for the ω-methyl carbon, and δ 29.4-29.7 ppm for the internal methylene carbons.

Natural Occurrence of Ceroplastic Acid:

Biological sources:
Ceroplastic acid is primarily identified in the waxy secretions of scale insects belonging to the genus Ceroplastes, particularly Ceroplastes rubens (the ruby wax scale), where it constitutes a key component of lardacein, the lipid-rich exudate used for protection and reproduction.
This occurrence was first documented in detailed chemical analyses of insect exudates during early studies on scale insect waxes.

Similar presence has been confirmed in the wax of related species, such as Ceroplastes ceriferus, highlighting its role as a characteristic very long-chain fatty acid (VLCFA) in these arthropod secretions.
Beyond insects, Ceroplastic acid appears in various plant waxes as a minor VLCFA, contributing to the hydrophobic coatings on leaves and stems.

For instance, Ceroplastic acid has been detected in trace quantities within the lipophilic extracts of Cyperus papyrus (papyrus) stems, alongside other long-chain acids.
Ceroplastic acid is also reported in sugar cane wax, derived from Saccharum officinarum, where it forms part of the complex mixture of saturated fatty acids in the rind and pith.

In broader animal sources, Ceroplastic acid occurs in low abundances in certain insect lipids outside of scale insects, such as those from the beetle Tenebrio molitor (mealworm), the termite Coptotermes formosanus, the Oriental cockroach (Blatta orientalis), the fruit fly (Drosophila melanogaster), and the honey bee (Apis mellifera), reflecting its distribution among diverse arthropod species.
Trace levels are noted in some animal fats, though Ceroplastic acid is not a dominant component, and minimal detections have been associated with select seed oils, emphasizing its rarity in higher abundance compared to shorter-chain fatty acids.

Role in organisms:
Ceroplastic acid functions primarily as a very long-chain fatty acid (VLCFA) in the cuticular lipids of insects, where it contributes to the formation of hydrophobic waxy coatings.
These coatings serve as a critical barrier against water loss (desiccation) and environmental pathogens, aiding survival in diverse habitats, including arid conditions.

Ceroplastic acid has been identified in the cuticular lipids of several insect species, such as the yellow mealworm beetle Tenebrio molitor (Coleoptera: Tenebrionidae) and the Formosan subterranean termite Coptotermes formosanus (Isoptera: Rhinotermitidae), where VLCFAs like Ceroplastic acid support thermoregulation and resistance to fungal infections.
Ceroplastic acid's name derives from the scale insect genus Ceroplastes (Hemiptera: Coccidae), reflecting its presence in the protective waxy exudates of these organisms, which similarly shield against desiccation and microbial threats.

In plants, Ceroplastic acid participates in the biosynthesis of epicuticular waxes on leaves and stems, acting as a structural component that enhances water repellency and forms a physical barrier against UV radiation, pathogens, and pollutants.
These VLCFAs are elongated from shorter-chain precursors in the epidermal cells and are essential for maintaining plant integrity in terrestrial ecosystems, with deficiencies leading to increased permeability and stress susceptibility.

Although specific quantification of Ceroplastic acid in plant waxes is rare, its role aligns with that of other VLCFAs in providing non-glandular trichome-like protection and reducing non-stomatal transpiration.
As a VLCFA, Ceroplastic acid also supports broader lipid metabolism across organisms, contributing to sphingolipid synthesis for membrane stability and potentially intercellular signaling, though its exact contributions remain underexplored due to low abundance.
Unlike common shorter-chain fatty acids, Ceroplastic acid is not a primary dietary component but is specialized for exudates and barrier functions in insects and plants, where it aids in hydrophobic interactions.

Chemical Properties and Reactivity of Ceroplastic Acid:

Reaction Mechanisms and Kinetics:
Ceroplastic acid undergoes characteristic carboxylic acid reactions, though the long hydrocarbon chain influences reactivity through steric and solubility factors.
Esterification reactions proceed via standard acid-catalyzed nucleophilic substitution mechanisms, with reaction rates comparable to shorter-chain analogues when conducted in appropriate solvents.

Ceroplastic acid forms metal salts through acid-base reactions, with sodium and potassium salts exhibiting surfactant properties due to the amphiphilic nature of the carboxylate anion.
Decarboxylation requires elevated temperatures above 200°C and proceeds through radical mechanisms.

Reduction with lithium aluminum hydride yields the corresponding primary alcohol, pentatriacontan-1-ol, with quantitative conversion under standard conditions.
Halogenation at the α-position occurs under Hell-Volhard-Zelinsky conditions, though the reaction rate decreases compared to shorter-chain acids due to increased steric hindrance.

Acid-Base and Redox Properties:
As a carboxylic acid, Ceroplastic acid exhibits weak acidity with a pKa value of approximately 4.8 in aqueous ethanol solutions, though accurate measurement proves challenging due to limited aqueous solubility.
Ceroplastic acid demonstrates typical carboxylic acid buffer capacity in appropriate solvent systems, maintaining stability between pH 3 and 6.

Redox properties include susceptibility to oxidative decarboxylation under strong oxidizing conditions, though the saturated hydrocarbon chain resists oxidation under mild conditions.
Electrochemical studies reveal an irreversible oxidation wave at +1.2 V versus standard calomel electrode, corresponding to oxidation of the carboxylate anion.
Ceroplastic acid remains stable under reducing conditions, with no reduction waves observed within the accessible potential window of common nonaqueous electrolytes.

Synthesis and Preparation Methods of Ceroplastic Acid:

Laboratory Synthesis Routes:
Laboratory synthesis of Ceroplastic acid typically proceeds through malonic ester synthesis or homologation of shorter-chain fatty acids.
The Arndt-Eistert homologation provides a reliable method for stepwise chain elongation, though this approach becomes impractical for large-scale preparation due to multiple synthetic steps.

Alternative routes involve oxidation of long-chain primary alcohols or aldehydes, with potassium permanganate or chromium trioxide serving as effective oxidizing agents.
A more efficient laboratory preparation utilizes Kolbe electrolysis of shorter-chain carboxylic acids, particularly heptadecanoic acid, which undergoes electrochemical coupling to yield the C₃₄ hydrocarbon chain with subsequent functionalization to the carboxylic acid.
Purification typically involves multiple recrystallizations from acetone or ethanol to achieve high purity, with final purity assessment by gas chromatography and melting point determination.

Analytical Methods and Characterization of Ceroplastic Acid:

Identification and Quantification:
Analytical identification of Ceroplastic acid relies heavily on chromatographic and spectroscopic techniques.
Gas chromatography with flame ionization detection provides effective separation and quantification when using high-temperature stationary phases capable of operating up to 350°C.

Reverse-phase high performance liquid chromatography with evaporative light scattering detection offers alternative analysis without derivatization requirements.
Mass spectrometric analysis exhibits a molecular ion peak at m/z 522.5 with characteristic fragmentation patterns including loss of water (m/z 504.5) and decarboxylation (m/z 478.5).

Fourier transform infrared spectroscopy provides definitive identification through the characteristic carboxylic acid dimer absorption pattern.
Differential scanning calorimetry confirms identity through melting point determination and heat of fusion measurement.

Purity Assessment and Quality Control:
Purity assessment of Ceroplastic acid focuses primarily on chromatographic homogeneity and melting point range determination.
Impurities typically include homologous fatty acids with chain lengths differing by two methylene units, resulting from incomplete purification during synthesis.

Capillary gas chromatography can resolve these homologues, with detection limits below 0.1% for individual impurities.
Karl Fischer titration determines water content, which should not exceed 0.5% for high-purity material.

Acid value titration provides quantitative measurement of free acid content, with theoretical value of 107 mg KOH/g for pure Ceroplastic acid.
Peroxide value assessment confirms absence of oxidative degradation products, particularly important for material stored for extended periods.

Historical Development and Discovery of Ceroplastic Acid:
The identification of Ceroplastic acid emerged from systematic investigations of natural wax components during the late 19th and early 20th centuries.
Early work on beeswax and other insect waxes revealed the presence of very-long-chain fatty acids beyond the more common palmitic and stearic acids.

The name "ceroplastic" derives from historical usage in wax working, where substances with similar physical properties were employed in sculptural and modeling applications.
Structural elucidation progressed through classical degradation studies and synthetic confirmation, with definitive characterization achieved through modern spectroscopic methods in the mid-20th century.

The development of chromatographic techniques enabled isolation and purification of individual homologues, leading to accurate physical property determination.
Current research continues to explore synthetic methodologies for more efficient production and investigation of structure-property relationships in homologous series.

Etymology of Ceroplastic Acid:
The name "Ceroplastic acid" derives from the Greek keroplastikos, meaning "formed in wax" or "wax-molded," a compound of kēros (beeswax or honeycomb) and plastikos (capable of molding or shaping).
This etymology highlights the acid's waxy texture and Ceroplastic acid's historical association with natural wax components, emphasizing descriptive naming over structural detail in early organic chemistry.

In the context of naming conventions for wax-related fatty acids during the 19th and 20th centuries, the prefix "cero-" or "cer-"—rooted in the same Greek kēros—was widely applied to long-chain aliphatic acids isolated from sources like beeswax, carnauba wax, or insect secretions, as exemplified by related terms such as cerotic acid (hexacosanoic acid) and lignoceric acid (tetracosanoic acid).
These trivial names persisted in lipid nomenclature to evoke the physical properties and natural origins of such compounds, even as systematic IUPAC rules later favored alkanoic acid designations.
The designation thus underscores the acid's resemblance to pliable, wax-like substances without implying a direct structural link to molding processes.

Stability and Reactivity of Ceroplastic Acid:

Chemical stability:
Stable under normal temperature and storage conditions.

Reactivity:
Low.
No hazardous reactions under normal use.

Conditions to avoid:
Excessive heat.
Open flames.
Strong oxidizing conditions.

Incompatible materials:
Strong oxidizers.
Strong acids.

Hazardous decomposition products:
Carbon monoxide (CO) may form.
Carbon dioxide (CO₂) may be generated.
Irritating organic fumes may be released.

Handling and Storage of Ceroplastic Acid:

Handling:
Avoid contact with eyes.
Avoid prolonged skin exposure.
Ensure good industrial hygiene practices.

Storage:
Store in a cool, dry, and well-ventilated area.
Keep containers tightly closed.
Keep away from heat sources.

First Aid Measures of Ceroplastic Acid:

Inhalation:
Move to fresh air.
Seek medical attention if symptoms persist.

Skin contact:
Wash with soap and water.

Eye contact:
Rinse cautiously with water for several minutes.

Ingestion:
Rinse mouth.
Do not induce vomiting.
Seek medical advice if necessary.

Firefighting Measures of Ceroplastic Acid:

Suitable extinguishing media:
Water spray.
Foam.
Dry chemical.
Carbon dioxide (CO₂).

Hazards:
Combustion may produce toxic and irritating fumes.

Protective equipment:
Use self-contained breathing apparatus.
Wear full protective gear.

Accidental Release Measures of Ceroplastic Acid:

Personal precautions:
Avoid contact with skin and eyes.
Ensure adequate ventilation.

Environmental precautions:
Prevent entry into drains and waterways.

Methods for cleaning up:
Absorb with inert material such as sand or earth.
Collect in appropriate containers for disposal.

Exposure Controls / Personal Protection of Ceroplastic Acid:

Engineering controls:
Provide adequate ventilation.
Use local exhaust systems if necessary.

Respiratory protection:
Use appropriate mask if dust or fumes are generated.

Hand protection:
Wear chemical-resistant gloves.

Eye protection:
Use safety goggles or face shield.

Skin protection:
Wear protective clothing as needed.

Identifiers of Ceroplastic Acid:
CAS Number: 38232-05-2
ChemSpider: 4445722
PubChem CID: 5282595
UNII: M78J737BEQ
CompTox Dashboard (EPA): DTXSID50415221
InChI: InChI=1S/C35H70O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35(36)37/h2-34H2,1H3,(H,36,37)
Key: HVUCKZJUWZBJDP-UHFFFAOYSA-N
InChI=1/C35H70O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35(36)37/h2-34H2,1H3,(H,36,37)
Key: HVUCKZJUWZBJDP-UHFFFAOYAQ
SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O

Appearance: White to off-white solid or waxy flakes
Odor: Mild, fatty or wax-like odor
Origin: Typically derived from natural fatty acids or synthetic wax processing

Molecular formula: C35H69O2
Average mass: 522.943
Monoisotopic mass: 522.537581
ChemSpider ID: 4445722

Stereochemistry: ACHIRAL
Molecular Formula: C35H70O2
Molecular Weight: 522.9291
Optical Activity: NONE

Properties of Ceroplastic Acid:
Chemical formula: C35H70O2
Molar mass: 522.93 g/mol
Melting point: 96–98 °C (205–208 °F; 369–371 K)

Physical state: Solid or waxy semi-solid
Appearance: White to off-white flakes or pellets
Odor: Mild, fatty or wax-like odor
Melting point: Typically 50–80 °C
Boiling point: Not well defined
Density: ~0.85–0.95 g/cm³
Solubility in water: Insoluble
Solubility in organic solvents: Soluble in alcohols, hydrocarbons, and oils
pH: Slightly acidic

Molecular Weight: 522.9 g/mol
XLogP3: 16.7
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 2
Rotatable Bond Count: 33
Exact Mass: 522.53758147 Da
Monoisotopic Mass: 522.53758147 Da
Topological Polar Surface Area: 37.3 Ų
Heavy Atom Count: 37
Complexity: 419
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: 1
Compound Is Canonicalized: Yes

Names of Ceroplastic Acid:

Preferred IUPAC name:
Pentatriacontanoic acid