1-Hexadecanol CAS 36653-82-4
Introduction：Basic information about 1-Hexadecanol CAS 36653-82-4, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
1-Hexadecanol Basic informationUses in Perfume
| Product Name: | 1-Hexadecanol |
| Synonyms: | Adol 52;Adol 52 NF;Adol 520;Adol 54;adol52;adol520;adol52nf;adol54 |
| CAS: | 36653-82-4 |
| MF: | C16H34O |
| MW: | 242.44 |
| EINECS: | 253-149-0 |
| Product Categories: | Inhibitors;Alcohols;Building Blocks;C11 to C30+;Chemical Synthesis;Organic Building Blocks;1-Alkanols;Biochemistry;Higher Fatty Acids & Higher Alcohols;Monofunctional & alpha,omega-Bifunctional Alkanes;Monofunctional Alkanes;Saturated Higher Alcohols;Oxygen Compounds;36653-82-4 |
| Mol File: | 36653-82-4.mol |
1-Hexadecanol Chemical Properties
| Melting point | 48-50 °C (lit.) |
| Boiling point | 179-181 °C/10 mmHg (lit.) |
| bulk density | 410-450kg/m3 |
| density | 0.818 g/mL at 25 °C (lit.) |
| vapor density | 8.34 (vs air) |
| vapor pressure | <0.01 mm Hg ( 43 °C) |
| refractive index | nD79 1.4283 |
| FEMA | 2554 | 1-HEXADECANOL |
| Fp | 275 °F |
| storage temp. | Store below +30°C. |
| solubility | Soluble in alcohol, chloroform, ether |
| pka | 15.20±0.10(Predicted) |
| form | Powder, Flakes or Pellets |
| color | White to off-white |
| Odor | at 100.00 %. waxy clean greasy floral oily |
| Odor Type | waxy |
| explosive limit | 8% |
| biological source | synthetic |
| Water Solubility | insoluble |
| Merck | 14,2028 |
| JECFA Number | 114 |
| BRN | 1748475 |
| Dielectric constant | 3.6（60℃） |
| Stability: | Stable. Incompatible with strong oxidizing agents, strong acids. |
| Cosmetics Ingredients Functions | SURFACTANT - EMULSIFYING VISCOSITY CONTROLLING OPACIFYING SURFACTANT - FOAM BOOSTING FRAGRANCE EMULSION STABILISING SURFACTANT - CLEANSING SKIN CONDITIONING - EMOLLIENT |
| Cosmetic Ingredient Review (CIR) | 1-Hexadecanol (36653-82-4) |
| InChI | 1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3 |
| InChIKey | BXWNKGSJHAJOGX-UHFFFAOYSA-N |
| SMILES | CCCCCCCCCCCCCCCCO |
| LogP | 6.7 |
| CAS DataBase Reference | 36653-82-4(CAS DataBase Reference) |
| NIST Chemistry Reference | 1-Hexadecanol(36653-82-4) |
| EPA Substance Registry System | 1-Hexadecanol (36653-82-4) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 38-36/37/38 |
| Safety Statements | 22-24/25-37 |
| WGK Germany | - |
| RTECS | MM0225000 |
| Autoignition Temperature | 483 °F |
| TSCA | TSCA listed |
| HS Code | 29051700 |
| Storage Class | 11 - Combustible Solids |
| Hazardous Substances Data | 36653-82-4(Hazardous Substances Data) |
| Toxicity | LD50 orally in Rabbit: > 2000 mg/kg LD50 dermal Rabbit > 2000 mg/kg |
| Uses in Perfume | 1-Hexadecanol finds some use in flavor compositions inminute traces in imitation chocolate flavors,mainly to introduce a mouthfeel, rather thana taste. The concentration used is about 2 ppmin the finished product. |
| Description | 1-Hexadecanol is 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, It is one of the oldest known long-chain alcohol. It can be produced from the reduction of palmitic acid. 1-Hexadecanol may be contained in cosmetic and personal care products such as shampoos, creams and lotions. it is mainly used as an opacifier, emulsifier, and thickening agent that alter the thickness of the liquid, and increase and stabilize the foaming capacity. |
| Chemical Properties | Cetyl alcohol occurs as waxy, white flakes, granules, cubes, orcastings. It has a faint characteristic odor and bland taste. |
| Originator | Hexadecyl alcohol,Esso Res. AndEng. Co. |
| Occurrence | Reported as a major constituent of spermaceti oil, where it is present chiefy as cetyl palmitate Also reported found in guava, peach, pear, kohlrabi, baked potato, mustard, Parmesan cheese, butter, milk powder, boiled egg, cooked chicken, roasted beef, beef fat, whiskies, tea, starfruit, mango, rice, licorice, kiwifruit, loquat, endive, shrimp, crab, clam, Cape gooseberry and pawpaw |
| Uses | 1-Hexadecanol has been used in preparation of: (±)-2-methoxyheptadecanoic acid (fatty acid) high-chain fatty acid esters of 1-hexadecanol, novel organic phase change material for thermal energy storage hexadecane (alkane) in the presence of membrane fraction of Vibrio furnissii M1 |
| Uses | cetyl alcohol is a versatile ingredient that can serve as an emollient, emulsifier, thickener, binder, foam booster, or emulsion stabilizer, depending on the formulation and need. It is derived from coconut or palm oil as well as being synthetically manufactured. It is considered by some sources to be a non-comedogenic material. |
| Definition | ChEBI: 1-Hexadecanol is a long chain fatty alcohol that is hexadecane substituted by a hydroxy group at position 1. It is a synthetic, solid, fatty alcohol and nonionic surfactant. It is used as an emulsifying agent in pharmaceutical preparations. |
| Production Methods | Cetyl alcohol may be manufactured by a number of methods such asesterification and hydrogenolysis of fatty acids or by catalytichydrogenation of the triglycerides obtained from coconut oil ortallow. Cetyl alcohol may be purified by crystallization anddistillation. |
| Therapeutic Function | Pharmaceutic aid |
| Synthesis Reference(s) | The Journal of Organic Chemistry, 42, p. 512, 1977 DOI: 10.1021/jo00423a025 Synthetic Communications, 25, p. 1901, 1995 DOI: 10.1080/00397919508015865 Tetrahedron Letters, 24, p. 4485, 1983 DOI: 10.1016/S0040-4039(00)85933-X |
| General Description | 1-Hexadecanol is a free fatty acid alcohol generally used as an emulsifier, emollient, opacifier and surfactant in cosmetics formulations. |
| Flammability and Explosibility | Not classified |
| Safety | Cetyl alcohol is mainly used in topical formulations, although it hasalso been used in oral and rectal preparations. Cetyl alcohol has been associated with allergic delayed-typehypersensitivity reactions in patients with stasis dermatitis. Crosssensitizationwith cetostearyl alcohol, lanolin, and stearyl alcoholhas also been reported. It has been suggested that hypersensitivitymay be caused by impurities in commercial grades of cetylalcohol since highly refined cetyl alcohol (99.5%) has not beenassociated with hypersensitivity reactions. LD50 (mouse, IP): 1.6 g/kg LD50 (mouse, oral): 3.2 g/kg LD50 (rat, IP): 1.6 g/kg LD50 (rat, oral): 5 g/kg |
| storage | Cetyl alcohol is stable in the presence of acids, alkalis, light, and air;it does not become rancid. It should be stored in a well-closedcontainer in a cool, dry place. |
| Purification Methods | Crystallise the alcohol from aqueous EtOH or from cyclohexane. Alternatively purify it by zone refining. The purity can be checked by gas chromatography. [Beilstein 1 H 429, 1 I 219, 1 II 466, 1 III 1815, 1 IV 1876.] |
| Incompatibilities | Incompatible with strong oxidizing agents. Cetyl alcohol isresponsible for lowering the melting point of ibuprofen, whichresults in sticking tendencies during the process of film coatingibuprofen crystals. |
| Regulatory Status | Included in the FDA Inactive Ingredients Database (ophthalmicpreparations, oral capsules and tablets, otic and rectal preparations,topical aerosols, creams, emulsions, ointments and solutions, andvaginal preparations). Included in nonparenteral medicines licensedin the UK. Included in the Canadian List of Acceptable NonmedicinalIngredients. |
1-Hexadecanol Preparation Products And Raw materials
| Raw materials | Sodium hydroxide-->Sodium borohydride-->Detergent-->Palmitoyl chloride-->CETYL PALMITATE-->Sodium bicarbonate-->Hydrochloric acid-->Calcium oxide-->16-HENTRIACONTANONE |
| Preparation Products | Hexadecyl trimethyl ammonium bromide-->1-Bromohexadecane-->STEARYL TARTRATE-->Miltefosine-->1-IODOHEXADECANE-->1-Chlorohexadecane-->CETYL LACTATE-->2-Hexanone, 4-hydroxy- (6CI,9CI)-->2-HEXADECANOL-->Palmityl myristate-->N-HEXADECYL SULFIDE-->cetyl myristoleate |
