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ISOCETYL STEARATE

Cetyl alcohol, also known as 1-hexadecanol or n-hexadecyl alcohol, is a 16-C fatty alcohol with the chemical formula CH3(CH2)15OH. It can be produced from the reduction of palmitic acid. Cetyl alcohol is present in a waxy white powder or flake form at room temperature, and is insoluble in water and soluble in alcohols and oils. Discovered by Chevrenl in 1913, cetyl alcohol is one of the oldest known long-chain alcohol. It may be contained in cosmetic and personal care products such as shampoos, creams and lotions. Mainly it is used as an opacifier, emulsifier, and thickening agent that alter the thickness of the liquid, and increase and stabilize the foaming capacity. Due to its water-binding property, cetyl alcohol is commonly used as an emollient that prevents drying and chapping of the skin. According to the FDA Code of Federal Regulations, cetyl alcohol is a safe synthetic fatty acid in food and in the synthesis of food components under the condition that it contain not less than 98 percent of total alcohols and not less than 94 percent of straight chain alcohols. Cetyl alcohol is also listed in the OTC ingredient list as a skin protectant for skin irritations caused by poison ivy, oak, sumac, and insect bites or stings. Cetyl alcohol is reported to be a mild skin or eye irritant.

CAS NO:36653-82-4
EC NO:253-149-0

SYNONYMS:
1-Hexadecanol; cetyl alcohol; Hexadecan-1-ol; 36653-82-4; HEXADECANOL; Cetanol; Palmityl alcohol; Hexadecyl alcohol; n-Cetyl alcohol; Cetaffine; Cetylol; Cetal; Ethal; Ethol; Cetylic alcohol; N-Hexadecanol; n-Hexadecyl alcohol; n-1-Hexadecanol; Loxanwachs SK; Crodacol C; Loxanol K extra; 1-Hexadecyl alcohol; Elfacos C; Loxanol K; Crodacol-CAS; Crodacol-CAT; Siponol wax-A; Atalco C; Cetalol CA; Siponol CC; Lanol C; 1-Cetanol; Hyfatol 16; Cachalot C-50; Cachalot C-51; Cachalot C-52; Alcohol C-16; Product 308; Aldol 54; Dytol F-11; Adol; Cyclal cetyl alcohol; Alfol 16; Lorol 24; Adol 52; Adol 54; Adol 52 NF; Hyfatol; Epal 16NF; 1-Hexadecyl alc; 16-Hexadecanol; C16 alcohol; Adol 520; n-Hexadecan-1-ol; Cetylalkohol; Isocetyl alcohol; 1-Hexanedecanol; Isohexadecyl alcohol; cetylalcohol; SSD RP; Normal primary hexadecyl alcohol; Alcohols, C14-18; CO-1670; CO-1695; Lipocol C; UNII-936JST6JCN; Fancol CA; Cetyl alcohol NF; Crodacol C70; Rita CA; 1-Hydroxyhexadecane; Cetanol (TN); Lanette 16; Philcohol 1600; Cetyl alcohol (NF); Cetyl alcohol [NF]; Lorol C16; LorolL 24; Cachalot C-50 NF; Adol 52NF; MFCD00004760; 936JST6JCN; CHEBI:16125; NSC4194; NCGC00159368-02; NCGC00159368-05; 1-Hexadecanol, 96%; palmitic alcohol; 1-Hexadecan-d33-ol; DSSTox_CID_7991; DSSTox_RID_78633; DSSTox_GSID_27991; Hexadecanol (VAN); Fatty alcohol(C16); Caswell No. 165D; FEMA Number 2554; Hexadecyl alcohol, normal; CAS-36653-82-4; FEMA No. 2554; HSDB 2643; NSC 4194; EINECS 253-149-0; EPA Pesticide Chemical Code 001508; Cetyl alcohol (hexadecanol); BRN 1748475; hexadecylalcohol; AI3-00755; Hexadecanol NF; Ceraphyl ICA; Crodacol C95NF; Dehydag wax 16; Eutanol G16; Crodacol C95 NF; Laurex 16; Alfol 16RD; hexadecan-1-ol group; SSD (Salt/Mix)

Cetyl alcohol, also known as 1-hexadecanol or n-hexadecyl alcohol, is a 16-C fatty alcohol with the chemical formula CH3(CH2)15OH. It can be produced from the reduction of palmitic acid. Cetyl alcohol is present in a waxy white powder or flake form at room temperature, and is insoluble in water and soluble in alcohols and oils. Discovered by Chevrenl in 1913, cetyl alcohol is one of the oldest known long-chain alcohol. It may be contained in cosmetic and personal care products such as shampoos, creams and lotions. Mainly it is used as an opacifier, emulsifier, and thickening agent that alter the thickness of the liquid, and increase and stabilize the foaming capacity. Due to its water-binding property, cetyl alcohol is commonly used as an emollient that prevents drying and chapping of the skin. According to the FDA Code of Federal Regulations, cetyl alcohol is a safe synthetic fatty acid in food and in the synthesis of food components under the condition that it contain not less than 98 percent of total alcohols and not less than 94 percent of straight chain alcohols. Cetyl alcohol is also listed in the OTC ingredient list as a skin protectant for skin irritations caused by poison ivy, oak, sumac, and insect bites or stings. Cetyl alcohol is reported to be a mild skin or eye irritant.Cetyl Alcohol is a synthetic, solid, fatty alcohol and nonionic surfactant. Cetyl alcohol is used as an emulsifying agent in pharmaceutical preparations.Hexadecan-1-ol is a long chain fatty alcohol that is hexadecane substituted by a hydroxy group at position 1. It has a role as a human metabolite and an algal metabolite. It is a long-chain primary fatty alcohol and a fatty alcohol 16:0.FLAKES FROM ETHYL ACETATE.Faint odor.Slightly soluble in alcohol; soluble in acetone; very soluble in ether, benzene, chloroform.No therapeutic indications in medicinal products. Indicated to be used as an indirect additive in food contact substances, or an ingredient in commercial or cosmetic products.Cetyl alcohol exhibits skin protect properties against skin irritations caused by bites, rashes and stings.About 15% of total cetyl alcohol was unchanged during its passage through the mucosal cells of the small intestine but mostly underwent oxidation to palmitic acid [A32209]. The extent of absorption was reported to be 26% in poultry.This may be due to the interconvertibility of fatty acids and alcohols, resulting in the conversion of palmitic acid to cetyl alcohol during its passage through the intestinal mucosal cells into the intestinal lumen.The primary aliphatic alcohols undergo two general reactions in vivo, namely oxidation to carboxylic acids and direct conjugation with glucuronic acid. The first reaction proceeds with the intermediate formation of an aldehyde, and the carboxylic acid from this may be either oxidized completely to carbon dioxide or excreted as such or combined with glucuronic acid as an ester glucuronide. The extent to which as alcohol undergoes the second reaction, i.e. direct conjugation to an ether glucuronide, appears to depend upon the speed of the first reaction, for alcohols which are rapidly oxidized from very little ether glucuronide unless given in high doses.Cetyl alcohol has hydrating properties that makes it a suitable emulsifier and stabilizer in pharmaceutical formulations. It is also present in washable ointment base due to its dispersant abilities and stabilizing properties. Potential antimicrobial activity of cetyl alcohol may be due to a change in cell membrane permeability that either blocks absorption of essential nutrients and induction of outward diffusion vital cellular components. This proposed mechanism of action is thought to be similar for other long-chain aliphatic alcohols with same antimicrobial activity, such as myristyl alcohol and behenyl alcohol.For Cetyl Alcohol (USEPA/OPP Pesticide Code: 001508) there are 0 labels match. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses.In cosmetics as emollient, emulsion modifier, coupling agent. Pharmaceutical aid (emulsifying and stiffening agent).In cosmetics as emollient, emulsion modifier, coupling agent. Pharmaceutical aid (emulsifying and stiffening agent).Perfumery, emulsifier, emollient, foam stabilizer in detergents, face creams, lotions, lipsticks, toilet preparations, chemical intermediate, detergents, pharmaceuticals, cosmetics, base for making sulfonated fatty acids, to retard evaporation of water when spread as a film on reservoirs or sprayed on growing plants.Cetyl alcohol and stearamides make dry powder dispersions of aluminum chlorhydroxide for deodorant-antiperspirant sticks.Catalytic hydrogenation of the triglycerides obtained from coconut oil or tallow; oxidation of a chain growth product of ethylene oligomerized on a triethylaluminum catalyst.Prepared from palmitoyl chloride plus sodium borohydride ... from methylthiopalmitate plus Raney nickel: Ruzicka, Prelog, US patent 2,509,171 (1950 to Ciba); from hexadecyl bromide: Levine, Clippinger, US 3,018,308.By saponifying spermaceti with caustic alkali, reduction of palmitic acid.In a 5-day incubation study using an activated sludge seed from a municipal sewage treatment plant, 28.0% of initial 1-hexadecanol was mineralized (CO2 measurement)(1). A theoretical BOD of 0% was observed using the AFNOR (the French norm procedure) screening test and a 5-day incubation period(2). In standard 5-day BOD tests using emulsified 1-hexadecanol, 30-60% of initial 1-hexadecanol was oxidized(3). In studies designed to examine the biodegradability of 1-hexadecanol in thin films (monolayer) on water surfaces, it was found that biological destruction of the monolayer resulted in measurable consumption of the material with all substrates that were tested; substrates included 2% settled domestic sewage in BOD dilution water, 50% Ohio River water + 50% BOD dilution water, water from a stock pond near San Antonio, TX, and other combinations of BOD dilution water and mineral supplements; oxidation rates varied with substrates; oxidation rates varied from 6.2 to 14.3% over incubation periods of 20 to 48 days(3). In Warburg respirometer tests using activated sludge and 500 mg/L of 1-hexadecanol (well above its aqueous solubility), the theoretical oxygen demand was only 0.4% after a 12-hr incubation period(4). In static culture tests examining the disappearance of 1-hexadecanol in seeded media as compared to unseeded control media over a 10-day incubation period, almost none disappeared from the control media while nearly 20% disappeared from the seeded media; in shake flask tests using seeded media and a fine granular form of 1-hexadecanol, the initial 1-hexadecanol concn of 100 mg/L decreased to only 0.25 mg/L after 30 days of incubation; the overall results of the study concluded that given sufficient time in contact with adapted microbial species under conditions otherwise non-limiting, the complete disappearance of 1-hexadecanol as an identifiable molecular species will occur; one limiting condition is the relative insolubility of 1-hexadecanol in water; it was found that microbial growth occurs more rapidly when the 1-hexadecanol substrate is added in dissolved form (eg hexane solution)(5).In general, materials which are toxic as stored or which can decompose into toxic components ... should be stored in a cool, well-ventilated place, out of direct rays of the sun, away from areas of high fire hazard, and should be periodically inspected ... incompatible materials should be isolated from each other.Residues of cetyl alcohol are exempted from the requirement of a tolerance when used as an evaporation retardant (limit: not more than 5.0% of pesticide formulation) in accordance with good agricultural practice as inert (or occasionally active) ingredients in pesticide formulations applied to growing crops or to raw agricultural commodities after harvest.Diluents in color additive mixtures for food use exempt from certification. The following substances may be safely used as diluents in color additive mixtures for food use exempt from certification, subject to the condition that each straight color in the mixture has been exempted from certification or, if not so exempted, is from a batch that has previously been certified and has not changed in composition since certification. If a specification for a particular diluent is not set forth in this part 73, the material shall be of a purity consistent with its intended use. Cetyl alcohol is included on this list.Diluents in color additive mixtures for drug use exempt from certification. The following diluents may be safely used in color additive mixtures that are exempt from certification and which are to be used for coloring drugs, subject to the condition that each straight color in the mixture has been exempted from certification or, if not so exempted, is from a batch that has previously been certified and has not changed in composition since certification. Such listing of diluents is not to be construed as superseding any of the other requirements of the Federal Food, Drug, and Cosmetic Act with respect to drugs, including new drugs. If a definition and specification for a particular diluent is not set forth in this subpart, the material shall be of a purity consistent with its intended use. Cetyl alcohol is included on this list.Cetyl alcohol is a food additive permitted for direct addition to food for human consumption as a synthetic flavoring substance and adjuvant in accordance with the following conditions: a) they are used in the minimum quantity required to produce their intended effect, and otherwise in accordance with all the principles of good manufacturing practice, and 2) they consist of one or more of the following, used alone or in combination with flavoring substances and adjuvants generally recognized as safe in food, prior-sanctioned for such use, or regulated by an appropriate section in this part.Drug products containing certain active ingredients offered over-the-counter (OTC) for certain uses. A number of active ingredients have been present in OTC drug products for various uses, as described below. However, based on evidence currently available, there are inadequate data to establish general recognition of the safety and effectiveness of these ingredients for the specified uses: cetyl alcohol is included in skin protectant drug products; insect bite and sting drug products; and poison ivy, poison oak, and poison sumac drug products.1-Hexadecanol's production and use in perfumery, foam stabilizer in detergents, cosmetics, chemical intermediate, detergents, and pharmaceuticals may result in its release to the environment through various waste streams. Its use to retard evaporation of water from reservoirs and growing plants will result in its direct release to the environment. If released to air, a vapor pressure of 6X10-6 mm Hg at 25 °C indicates 1-hexadecanol will exist in both the vapor and particulate phases in the atmosphere. Vapor-phase 1-hexadecanol will be degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals; the half-life for this reaction in air is estimated to be 16 hours. Particulate-phase 1-hexadecanol will be removed from the atmosphere by wet or dry deposition. If released to soil, 1-hexadecanol is expected to have no mobility based upon an estimated Koc of 25,000. Volatilization from moist soil surfaces is expected to be an important fate process based upon an estimated Henry's Law constant of 4.6X10-2 atm-cu m/mole. However, adsorption to soil is expected to attenuate volatilization. Various biological screening studies have demonstrated that 1-hexadecanol biodegrades both aerobically and anaerobically. If released into water, 1-hexadecanol is expected to adsorb to suspended solids and sediment based upon the estimated Koc. Volatilization from water surfaces is expected to be an important fate process based upon this compound's estimated Henry's Law constant. Estimated volatilization half-lives for a model river and model lake are 23 hours and 12 days, respectively. However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The estimated volatilization half-life from a model pond is 1.8 years if adsorption is considered. An observed BCF of 56 suggests bioconcentration in aquatic organisms is moderate. Hydrolysis is not expected to be an important environmental fate process since this compound lacks functional groups that hydrolyze under environmental conditions. Occupational exposure to 1-hexadecanol may occur through dermal contact with this compound at workplaces where 1-hexadecanol is produced or used. Monitoring data indicate that the general population may be exposed to 1-hexadecanol via inhalation of ambient air and dermal contact with this compound and other consumer products containing 1-hexadecanol.In a 5-day incubation study using an activated sludge seed from a municipal sewage treatment plant, 28.0% of initial 1-hexadecanol was mineralized (CO2 measurement)(1). A theoretical BOD of 0% was observed using the AFNOR (the French norm procedure) screening test and a 5-day incubation period(2). In standard 5-day BOD tests using emulsified 1-hexadecanol, 30-60% of initial 1-hexadecanol was oxidized(3). In studies designed to examine the biodegradability of 1-hexadecanol in thin films (monolayer) on water surfaces, it was found that biological destruction of the monolayer resulted in measurable consumption of the material with all substrates that were tested; substrates included 2% settled domestic sewage in BOD dilution water, 50% Ohio River water + 50% BOD dilution water, water from a stock pond near San Antonio, TX, and other combinations of BOD dilution water and mineral supplements; oxidation rates varied with substrates; oxidation rates varied from 6.2 to 14.3% over incubation periods of 20 to 48 days(3). In Warburg respirometer tests using activated sludge and 500 mg/L of 1-hexadecanol (well above its aqueous solubility), the theoretical oxygen demand was only 0.4% after a 12-hr incubation period(4). In static culture tests examining the disappearance of 1-hexadecanol in seeded media as compared to unseeded control media over a 10-day incubation period, almost none disappeared from the control media while nearly 20% disappeared from the seeded media; in shake flask tests using seeded media and a fine granular form of 1-hexadecanol, the initial 1-hexadecanol concn of 100 mg/L decreased to only 0.25 mg/L after 30 days of incubation; the overall results of the study concluded that given sufficient time in contact with adapted microbial species under conditions otherwise non-limiting, the complete disappearance of 1-hexadecanol as an identifiable molecular species will occur; one limiting condition is the relative insolubility of 1-hexadecanol in water; it was found that microbial growth occurs more rapidly when the 1-hexadecanol substrate is added in dissolved form (eg hexane solution)(5).Cetearyl Alcohol, Cetyl Alcohol, Myristyl Alcohol and Behenyl Alcohol are white, waxy solids. Isostearyl Alcohol is a clear liquid. Cetyl Alcohol and Stearyl Alcohol are the two major components of Cetearyl Alcohol. These ingredients are all fatty alcohols and that are widely used in cosmetics and personal care products, especially in skin lotions and creams.Cetearyl Alcohol and the other fatty alcohols keep an emulsion from separating into its oil and liquid components. These ingredients are also used to alter the thickness of liquid products and to increase foaming capacity or to stabilize foams.Hexyldecanol is an excellent base alcohol and emollient because it has a lighter feel than the traditionally used octyldodecanol. It serves as a low viscosity emollient, dispersant, and solubilizer that is ideal for use in formulations where a wide pH range is needed.It is perfect for cosmetic applications such as creams, lotions, ointments, lipsticks, lip balms, antiperspirants, deodorants, and hair fixatives. Hexyldecanol is also an excellent solubilizer for silicone waxes and allows for clear formulations.Isocetyl Alcohol belongs to the family of Guerbet alcohols (high molecular weight of saturated primary alcohols with branch of the carbon chain).  As their both alkyl chains are linear, they features low viscosity, biodegradability, clarity and thermostability. Isostearyl Alcohol is an easy spreading, colorless liquid fatty alcohol. It is moisturizing and has a very light, silky, soft dry skin feel. It is ideally used for skin care applications and works well in sun care and color cosmetics with a low or high pH.Isocetyl alcohol is a Mixture of branched chain C16 aliphatic alcohols Isocetyl alcohol uses and applications include: Emollient, viscous control agent, solubilizer for cosmetics, emulsions; coupling agent for mineral oil and castor oil; carrier, extender for flavor and fragrance oils in foods, pharmaceuticals; pigment dispersant and binder; extender and solvent for pigments, lipsticks dyes; ester and alkoxylate synthesis; in fiber lubricants; in metalworking lubricants.


They are also primary, branched, and saturated alcohols of high molecular weight and show the properties of
low irritation potential
low freezing point
low volatility
superior reactivity
good lubricant
greater oxidative and hydrolytic
better stability over unsaturated or linear alcohols containing the same number of carbon atoms
Guerbet alcohols with chain lengths upto C24 are clear liquids at temperatures 0 C whereas they are solids (white wax) with unique melting points from C28. They are raw materials in the industries of cosmetics, drug delivery, metal processing, fiber finish, thermostable and biodegradable lubricant and solvent as well as surfactant.

ISOCETYL ALCOHOL is classified as :
Emollient
Skin conditioning
Viscosity controlling
CAS Number36311-34-9
EINECS/ELINCS No:252-964-9
COSING REF No:34619
Chem/IUPAC Name:Isohexadecanol

Consumer Uses:
Cleaning and furnishing care products
Fabric, textile, and leather products not covered elsewhere
Industrial organic chemicals used in commercial and consumer products.
Lubricants and greases
Metal products not covered elsewhere
Non-TSCA use
Paints and coatings
Paper products
Personal care products
Plastic and rubber products not covered elsewhere

Industry Processing Sectors:
All other basic organic chemical manufacturing
All other chemical product and preparation manufacturing
Asphalt paving, roofing, and coating materials manufacturing
Nonmetallic mineral product manufacturing (includes clay, glass, cement, concrete, lime, gypsum, and other nonmetallic mineral product manufacturing.
Oil and gas drilling, extraction, and support activities
Paint and coating manufacturing
Paper manufacturing
Personal Care
Petrochemical manufacturing
Petroleum lubricating oil and grease manufacturing
Pharmaceutical and medicine manufacturing
Plastic material and resin manufacturing
Soap, cleaning compound, and toilet preparation manufacturing
Textiles, apparel, and leather manufacturing
Wholesale and retail trade

Industry Uses:
Commercial and industrial products.
Finishing agents
Fuels and fuel additives
Intermediates
Lubricants and lubricant additives
Other (Personal care)
Paint additives and coating additives not described by other categories
Personal Care product ingredient
Plasticizers
Processing aids, not otherwise listed
Processing aids, specific to petroleum production
Raw material for antioxidant production (esters)
Solvents (which become part of product formulation or mixture)
Surface active agents
Viscosity adjustors
opacifier in shampoo, emollient, emulsifier or thickening agent in skin creams and lotion

Molecular Weight 242.44    
XLogP3 7.3    
Hydrogen Bond Donor Count 1    
Hydrogen Bond Acceptor Count 1    
Rotatable Bond Count 14    
Exact Mass 242.260965704    
Monoisotopic Mass 242.260965704    
Topological Polar Surface Area    20.2 Ų    
Heavy Atom Count 17    
Formal Charge 0    
Complexity 123    
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    

Fatty alcohols, derived from natural fats and oils, are high molecular straight chain primary alcohols. They include lauryl (C12), MyrIstyl (C14), Cetyl ( or palmityl: C16), stearyl (C18), Oleyl (C18, unsaturated), and Linoleyl (C18, polyunsaturated) alcohols. There are synthetic fatty alcohols equivalent physically and chemically to natural alcohols obtained from oleochemical sources such as coconut and palm kernel oil. Fatty alcohols are emulsifiers and emollients to make skin smoother and prevent moisture loss. Identical fatty esters are used to improve rub-out of formulas and to control viscosity and dispersion characteristics in cosmetics, personal care products and pharmaceutical ingredients. As chemical intermediates, the primary use of fatty alcohols are as raw material for the production of fatty sulfate salts and alcohol ethoxylates for foaming and cleaning purposes in the field of detergent industry. Chemical reactions of primary alcohols include esterifications, ethoxylation, sulfation, oxidation and many other reactions. Their derivatives and end use applications include;
Nonionic surfactants (Ethoxylates and propoxylates)
Anionic surfactants (Alkyl sulfates and alkyl ethoxy sulfates)
Chemical intermediates and  polymerization modifiers (Alkyl halides, Alkyl mercaptans)
Quaternary ammonium compounds for detergent sanitisers, softner for textiles, phase transfer catalyst and biocides
Antioxidants for plastics (Alkyl thiopropionates and alkyl phosphites)
Lubricant additives (Metallic and thio alkylphosphates)
Flavor and Fragrance (Aldehydes and ketones)
PVC plasticizers (Dialkyl Phthalates, adipates and trimellitates)
Coatings and inks (acrylate and methacrylate esters)
Water treatment (acrylate and methacrylate esters)
Large amount of fatty alcohols are used as special solvents, fillers in plasticizer and insulating materials for the building industry. Fatty alcohols are used as ingredients in the industries of agricultural, foodstuff, metal processing, cosmetics, lube additive, pharmaceutical, rubber, textile, perfume and flavouring as well as synthetic detergent.

Description: Liquid emulsifier for cosmetic formulations. Synonyms: 2-hexyl decanol, isohexadecyl alcohol.

CAS: 36311-34-9, 2425-77-6

INCI Name: Isocetyl alcohol

CAS: 36311-34-9, 2425-77-6

Specifications:
Specific Alcohol Content %: 97.0 Min. i-C-16
Color (APHA): 20 Max.
Saponification No. (mg KOH/g): 1.0 Max.
Acid No. (mg KOH/g): 0.1 Max.
Water (wt.%): 0.1 Max.
Iodine No. (mg I/100 mg): 1.0 Max.
Hydroxyl No. (mg KOH/g): 225-235
 

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