1-Hexadecanol Chemical Properties

Melting point:

48-50 °C (lit.)

Boiling point:

179-181 °C/10 mmHg (lit.)

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

Flash point:

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%

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.

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 

Yes

HS Code 

29051700

Hazardous Substances Data

36653-82-4(Hazardous Substances Data)

Toxicity

LD50 orally in Rabbit: > 2000 mg/kg LD50 dermal Rabbit > 2000 mg/kg

MSDS

• Language:English Provider:ACROS
• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

1-Hexadecanol Usage And Synthesis

Uses in Perfume

1-Hexadecanol finds some use in flavor compositions in minute traces in imitation chocolate flavors, mainly to introduce a mouthfeel, rather than a taste. The concentration used is about 2 ppm in 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, or castings. It has a faint characteristic odor and bland taste.

Originator

Hexadecyl alcohol,Esso Res. And Eng. 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 as esterification and hydrogenolysis of fatty acids or by catalytic hydrogenation of the triglycerides obtained from coconut oil or tallow. Cetyl alcohol may be purified by crystallization and distillation.

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 has also been used in oral and rectal preparations.
Cetyl alcohol has been associated with allergic delayed-type hypersensitivity reactions in patients with stasis dermatitis. Crosssensitization with cetostearyl alcohol, lanolin, and stearyl alcohol has also been reported. It has been suggested that hypersensitivity may be caused by impurities in commercial grades of cetyl alcohol since highly refined cetyl alcohol (99.5%) has not been associated 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-closed container 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 is responsible for lowering the melting point of ibuprofen, which results in sticking tendencies during the process of film coating ibuprofen crystals.

Regulatory Status

Included in the FDA Inactive Ingredients Database (ophthalmic preparations, oral capsules and tablets, otic and rectal preparations, topical aerosols, creams, emulsions, ointments and solutions, and vaginal preparations). Included in nonparenteral medicines licensed in the UK. Included in the Canadian List of Acceptable Nonmedicinal Ingredients.

1-Hexadecanol(36653-82-4)Related Product Information

• 1-Hexadecene
• Polyethylene Glycol Monocetyl Ether
• Ethyl acetate
• HEXADECYL 2-ETHYLHEXANOATE
• POLYOXYETHYLENE 20 ISOHEXADECYL ETHER
• 1-Chlorohexadecane
• Palmitic acid
• N-HEXADECANE-D34
• Myristic acid
• n-Hendecane
• Sodium tetraborate decahydrate
• Hexadecanethiol
• 1-Tetradecanethiol
• Tetradecane
• Ethyl 3-methyl-3-phenylglycidate
• BEHENIC ACID
• Docosanoic acid
• 16-HYDROXYHEXADECANOIC ACID
• Cetyl Alcohol Flakes