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540-10-3

540-10-3 Structure

540-10-3 Structure
IdentificationMore
[Name]

CETYL PALMITATE
[CAS]

540-10-3
[Synonyms]

CETACEUM
CETIN
CETYL PALMITATE
EMALEX CC-16
HEXADECANOIC ACID HEXADECYL ESTER
HEXADECYL HEXADECANOATE
HEXADECYL PALMITATE
N-HEXADECYLPALMITAT
N-HEXADECYL PALMITATE
PALMATIC ACID N-HEXADECYL ESTER
PALMITIC ACID CETYL ESTER
PALMITIC ACID HEXADECYL ESTER
PALMITIC ACID N-HEXADECYL ESTER
PALMITIC ACID PALMITYL ESTER
PALMITYL PALMITATE
SPERMACETI
Cetyl palmitate, Hexadecyl hexadecanoate, Palmitic acid palmityl ester
Cetyl cetylate
Standamul-1616
[EINECS(EC#)]

208-736-6
[Molecular Formula]

C32H64O2
[MDL Number]

MFCD00053739
[Molecular Weight]

480.85
[MOL File]

540-10-3.mol
Chemical PropertiesBack Directory
[Appearance]

White to off-white waxy plates or flakes
[Melting point ]

55-56 °C(lit.)
[Boiling point ]

360 °C
[density ]

d20 0.989
[refractive index ]

1.4429 (589.3 nm 60℃)
[storage temp. ]

2-8°C
[solubility ]

Soluble in hot acetone.
[form ]

Crystalline Powder
[color ]

White to almost white
[biological source]

synthetic (organic)
[Merck ]

2031
[Dielectric constant]

2.2(Ambient)
[Cosmetics Ingredients Functions]

FRAGRANCE
SKIN CONDITIONING
SKIN CONDITIONING - EMOLLIENT
[Cosmetic Ingredient Review (CIR)]

CETYL PALMITATE (540-10-3)
[InChI]

InChI=1S/C32H64O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-32(33)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-31H2,1-2H3
[InChIKey]

PXDJXZJSCPSGGI-UHFFFAOYSA-N
[SMILES]

C(OCCCCCCCCCCCCCCCC)(=O)CCCCCCCCCCCCCCC
[LogP]

15.051 (est)
[Uses]

The chemical structure of cetyl palmitate (synthetic spermaceti) is the same as whale spermaceti. It may be used to thicken, produce viscose emulsions, give stability, and add texture to emulsions. It is similar to cetearyl palmitate.
[CAS DataBase Reference]

540-10-3(CAS DataBase Reference)
[EPA Substance Registry System]

Hexadecyl palmitate (540-10-3)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

-
[RTECS ]

RT4750000
[TSCA ]

Yes
[REACH Registrations]

Active
[HS Code ]

29171900
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

silver(1+) palmitate-->1-Iodohexadecane-->1-Hexadecanol-->Palmitoyl chloride-->Palmitic acid-->Sodium bromate-->Sulfuric acid-->Sodium bromide
[Preparation Products]

1-Hexadecanol-->Palmityl myristate-->Pentadecane
Hazard InformationBack Directory
[Chemical Properties]

white to almost white crystalline powder
[Definition]

ChEBI: A palmitate ester resulting from the formal condensation of palmitic acid with palmityl alcohol. It is used as a thickener and emollient in cosmetics.
[General Description]

Cetyl Palmitate is an ester of palmitic acid, obtained via the reaction of cetyl alcohol and palmitic acid. It is an ingredient of many cosmetic preparations.
Pharmaceutical secondary standards for application in quality control, provide pharma laboratories and manufacturers with a convenient and cost-effective alternative to the preparation of in-house working standards.
[Flammability and Explosibility]

Notclassified
[Synthesis]

1-Hexadecanol

36653-82-4

CETYL PALMITATE

540-10-3

GENERAL METHOD: 1.0 g (7.69 mmol) of 1-hexadecanol was added to a 50 mL round-bottomed flask, followed by 0.523 g (0.66 eq.) of NaBr and 0.383 g (0.33 eq.) of NaBrO3, and 10 mL of H2O [this aqueous solution has a molar ratio of bromide to bromate of 2:1]. The reaction mixture was stirred vigorously to ensure complete dissolution of the contents. An aqueous solution of H2SO4 (0.5 equiv, prepared from 0.21 mL of 98% H2SO4 with 1 mL of water) was slowly added to the above reaction mixture at room temperature with continuous stirring for 2.5 hours. The reaction mixture was continued to be stirred for up to 24 hours. Upon completion of the reaction, the product was extracted with CH2Cl2 (3 x 15 mL) and the organic layer was dried with Na2SO4, followed by removal of the solvent to afford hexadecanoic acid hexadecyl ester in 98% yield (0.953 g) as a colorless liquid. The structure of the product was confirmed by GC-MS and NMR.

[References]

[1] Synthetic Communications, 2018, vol. 48, # 13, p. 1663 - 1670
Spectrum DetailBack Directory
[Spectrum Detail]

CETYL PALMITATE(540-10-3)1HNMR
CETYL PALMITATE(540-10-3)FT-IR
CETYL PALMITATE(540-10-3)Raman
CETYL PALMITATE(540-10-3)IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

n-Hexadecyl palmitate, 98%(540-10-3)
[Sigma Aldrich]

540-10-3(sigmaaldrich)
[TCI AMERICA]

Hexadecyl Palmitate,>95.0%(GC)(540-10-3)
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