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36653-82-4

Basic Information
CAS No.: 36653-82-4
Name: 1-Hexadecanol
Article Data: 194
Cas Database
Molecular Structure:
Molecular Structure of 36653-82-4 (1-Hexadecanol)
Formula: C16H34O
Molecular Weight: 242.445
Synonyms: 1-Cetanol;Adol 52;Adol 52NF;Adol 54;Alfol 16;Alfol 16RD;Atalco C;CO 1695;CO 1695F;Cachalot C 51;Cetaffine;Cetal;Cetalcos;Cetalol CA;Cetanol;Cetyl AlcoholNX;Cetyl alcohol;Cetylic alcohol;Cetylol;Conol 1695;Crodacol C;Crodacol C95;Crodacol CAS;Crodacol CAT;Elfacos C;Epal 16;Ethal;Ethol;Hainol 16SS;Hexadecyl alcohol;Hyfatol 16;Hyfatol 16-85;Hyfatol 16-95;Kalcohl60;Kalcohl 6098;Kalcol 6098;Kalcol 68;Lanette 16;Lanol C;Laurex 16;Lipocol C;Lorol 24;Lorol C 14/98;Lorol C 16;Loxanol K;Loxanol K extra;Loxanwax SK;NAA 44;NSC 4194;Nacol 1618;Palmitic alcohol;Palmityl alcohol;Product 308;Siponol CC;Siponol Wax A;Tego Alkanol 16;n-1-Hexadecanol;n-Cetyl alcohol;n-Hexadecanol;
EINECS: 253-149-0
Density: 0.818 g/cm3
Melting Point: 49-51 °C
Boiling Point: 310.9 °C at 760 mmHg
Flash Point: 135 °C
Solubility: insoluble in water
Appearance: white solid
Hazard Symbols: IrritantXi
Risk Codes: 38-36/37/38
Safety: 22-24/25-37
Transport Information: N/A
PSA: 20.23000
LogP: 5.46000
Synthetic route
112-39-0

hexadecanoic acid methyl ester

36653-82-4

1-Hexadecanol

Conditions
ConditionsYield
With lithium aluminium tetrahydride In diethyl ether at 50℃; for 0.75h; Reduction;100%
With [RuCl2(2-(diphenylphosphino)-N-((6-((diphenylphosphino)methyl)pyridin-2-yl)methyl)ethan-1-amine)]; potassium tert-butylate; hydrogen In tetrahydrofuran at 80℃; under 38002.6 Torr; for 5h; Catalytic behavior; Autoclave;99%
With lithium aluminium tetrahydride In tetrahydrofuran at 0 - 20℃; for 24h;98%
6221-90-5

1-hexadecanol, trimethylsilyl ether

36653-82-4

1-Hexadecanol

Conditions
ConditionsYield
With iodine In methanol microwave irradiation;100%
With water; p-toluenesulfonyl chloride at 20℃; for 0.2h;83%
76358-80-0

tert-butyl(hexadecyloxy)dimethylsilane

36653-82-4

1-Hexadecanol

Conditions
ConditionsYield
With iodine In methanol microwave irradiation;100%
With sodium hydrogen sulfate; silica gel In dichloromethane at 20℃; for 0.5h;92%
With copper(ll) bromide In acetonitrile at 20℃; for 3h;86%
75839-74-6

phenyl thiopalmitate

36653-82-4

1-Hexadecanol

Conditions
ConditionsYield
With sodium tetrahydroborate In ethanol for 6h; Ambient temperature;99%
74058-64-3

1-(2-Thioxo-thiazolidin-3-yl)-hexadecan-1-one

36653-82-4

1-Hexadecanol

Conditions
ConditionsYield
With sodium tetrahydroborate; water In tetrahydrofuran Ambient temperature;99%

C37H52O3

36653-82-4

1-Hexadecanol

Conditions
ConditionsYield
In methanol; tetrachloromethane at 25 - 40℃; for 1.5h; ultrasonic;99%
629-80-1

n-hexadecylaldehyde

36653-82-4

1-Hexadecanol

Conditions
ConditionsYield
With chloro-trimethyl-silane; nickel boride In diethylene glycol dimethyl ether; N,N-dimethyl-formamide for 1h; Ambient temperature;98%
With magnesium; tin(ll) chloride In tetrahydrofuran for 0.25h;98%
With sodium tetrahydroborate; nickel dichloride In tetrahydrofuran at 20℃; for 0.166667h;92%
With water; nickel dichloride; zinc In N,N-dimethyl-formamide for 5h; Ambient temperature;65%
With acetic acid; zinc und nachfolgender Verseifung des erhaltenen Cetylacetats mittels alkoholischer Kalilauge;
628-97-7

hexadecanoic acid ethyl ester

36653-82-4

1-Hexadecanol

Conditions
ConditionsYield
With C32H36ClNO2P2Ru; potassium tert-butylate; hydrogen In tetrahydrofuran at 120℃; under 38002.6 Torr; for 20h; Autoclave; Green chemistry;98%
With C30H34Cl2N2P2Ru; potassium methanolate; hydrogen In tetrahydrofuran at 100℃; under 38002.6 - 76005.1 Torr; for 15h; Glovebox; Autoclave;92%
With aluminum oxide; sodium; tert-butyl alcohol In toluene for 6h; Heating;70%
80313-98-0

2-<(hexadecyloxy)sulfonyl>-N,N,N-trimethylethanaminium hydroxymethanesulfonate

36653-82-4

1-Hexadecanol

Conditions
ConditionsYield
In toluene at 110℃; for 2.5h;98%
22485-54-7

n-hexadecyl benzoate

36653-82-4

1-Hexadecanol

Conditions
ConditionsYield
With methanol; samarium(II) dibromide In tetrahydrofuran at 20℃; for 48h; Concentration; Reagent/catalyst; Time;98%
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  • 1-Hexadecanol Cetyl alcohol,Palmityl alcohol

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    MSDS/COA Download

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Consensus Reports

1-HEXADECANOL's reported in EPA TSCA Inventory.

Specification

The Cetyl alcohol, with the CAS registry number 36653-82-4, is also known as Palmityl alcohol. It belongs to the product categories of 1-Alkanols; Biochemistry; Higher Fatty Acids & Higher Alcohols; Monofunctional & alpha,omega-Bifunctional Alkanes; Monofunctional Alkanes; Saturated Higher Alcohols. Its EINECS registry number is 253-149-0. This chemical's molecular formula is C16H34O and molecular weight is 242.44056. Its IUPAC name is called hexadecan-1-ol. This chemical's classification codes are Pharmaceutic aid [emulsifying and stiffening agent]; Skin / Eye Irritant.

Physical properties of Cetyl alcohol are: (1)ACD/LogP: 6.952; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.95; (4)ACD/LogD (pH 7.4): 6.95; (5)ACD/BCF (pH 5.5): 113194.50; (6)ACD/BCF (pH 7.4): 113194.50; (7)ACD/KOC (pH 5.5): 144247.00; (8)ACD/KOC (pH 7.4): 144247.00; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 15; (12)Index of Refraction: 1.448; (13)Molar Refractivity: 77.71 cm3; (14)Molar Volume: 290.149 cm3; (15)Polarizability: 30.807 10-24cm3; (16)Surface Tension: 31.1450004577637 dyne/cm; (17)Density: 0.836 g/cm3; (18)Flash Point: 135 °C; (19)Enthalpy of Vaporization: 63.982 kJ/mol; (20)Boiling Point: 310.917 °C at 760 mmHg

Preparation of Cetyl alcohol: With the demise of commercial whaling, cetyl alcohol is no longer primarily produced from whale oil but instead either as an end-product of the petroleum industry, or produced from vegetable oils such as palm oil and coconut oil.

Uses of Cetyl alcohol: it is used in the cosmetic industry as a surfactant in shampoos, or as an emollient, emulsifier or thickening agent in the manufacture of skin creams and lotions. It is also employed as a lubricant for nuts and bolts.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. You should not breathe its dust. What's more, you must avoid contact with skin and eyes. Whenever you will contact it, please wear suitable gloves.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCCCCCCO
(2)InChI: InChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3
(3)InChIKey: BXWNKGSJHAJOGX-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LDLo skin 10gm/kg (10000mg/kg)   "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4635, 1982.
mouse LD50 intraperitoneal 1600mg/kg (1600mg/kg)   Food and Cosmetics Toxicology. Vol. 16, Pg. 683, 1978.
mouse LD50 oral 3200mg/kg (3200mg/kg)   Food and Cosmetics Toxicology. Vol. 16, Pg. 683, 1978.
rabbit LD50 skin > 2600mg/kg (2600mg/kg)   American Industrial Hygiene Association Journal. Vol. 34, Pg. 493, 1973.
rat LCLo inhalation 2220mg/m3/6H (2220mg/m3)   Journal of the American College of Toxicology. Vol. 7(3), Pg. 359, 1988.
rat LD50 intraperitoneal 1600mg/kg (1600mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"
Food and Cosmetics Toxicology. Vol. 16, Pg. 683, 1978.
rat LD50 oral 5gm/kg (5000mg/kg) CARDIAC: OTHER CHANGES

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Journal of the American College of Toxicology. Vol. 7(3), Pg. 359, 1988.