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79-81-2

Basic Information
CAS No.: 79-81-2
Name: Retinol palmitate
Article Data: 19
Cas Database
Molecular Structure:
Molecular Structure of 79-81-2 (Retinol palmitate)
Formula: C36H60O2
Molecular Weight: 524.871
Synonyms: Retinolpalmitate (6CI,7CI);Retinol, palmitate, all-trans- (8CI);250S/N;250S/N-B;Aquapalm;Aquasol A;Arovit;Arovit (Roche);Axerophthol palmitate;DispatabsTabs;Lutavit A 500 Plus;Optovit A;Palmitic acid, ester withretinol;Retinyl palmitate;Testavol S;VAP 250CK-CWD;VAP 250MS-CWD;Vitamin Apalmitate;Vitazyme A;all-trans-Retinol palmitate;all-trans-Vitamin A palmitate;trans-Retinyl palmitate;Vitamin A palmitate;
EINECS: 201-228-5
Density: 0.92 g/cm3
Melting Point: 2-8 °C
Boiling Point: 607.5 °C at 760 mmHg
Flash Point: 79.7 °C
Solubility: Soluble in chloroform, ether, and vegetable oils. Insoluble in water.
Appearance: N/A
Hazard Symbols: ToxicT,HarmfulXn
Risk Codes: 63
Safety: 53-23-36/37/39-45-36/37
Transport Information: N/A
PSA: 26.30000
LogP: 11.54250
Synthetic route
68-26-8

RETINOL

112-67-4

n-hexadecanoyl chloride

79-81-2

retinyl palmitate

Conditions
ConditionsYield
In toluene at 35℃; for 1h;99%
With pyridine In 1,2-dichloro-ethane
623-65-4

palmitic anhydride

68-26-8

RETINOL

79-81-2

retinyl palmitate

Conditions
ConditionsYield
With aluminum oxide In Petroleum ether at 40℃; for 2h; Solvent;97.62%
112-39-0

hexadecanoic acid methyl ester

127-47-9

Retinol acetate

79-81-2

retinyl palmitate

Conditions
ConditionsYield
With sodium hydroxide In methanol at 55℃; under 11.2511 - 16.5017 Torr; for 3h; Concentration; Pressure; Large scale;96%
112-39-0

hexadecanoic acid methyl ester

68-26-8

RETINOL

79-81-2

retinyl palmitate

Conditions
ConditionsYield
at 60℃; under 0.750075 Torr; for 3h; Temperature; Large scale;94%

4-palmitoyloxy-2-methyl-2-buten-1-al

62285-98-7

5-(2,6,6-trimethylcyclohexenyl)-3-methyl-2,4-pentadienyltriphenylphosphonium bromide

79-81-2

retinyl palmitate

Conditions
ConditionsYield
With sodium ethanolate In N,N-dimethyl-formamide at -5 - 5℃; for 3h; Wittig Olefination; Inert atmosphere;91.3%

4-palmitoyloxy-2-methyl-2-buten-1-al

53282-28-3

[(2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohex-1-en-1-yl)penta-2,4-dienyl]triphenylphosphonium chloride

79-81-2

retinyl palmitate

Conditions
ConditionsYield
With potassium hydroxide In isopropyl alcohol at 5 - 20℃; for 2h; Wittig Olefination; Inert atmosphere;90.8%
186194-14-9

diethyl 3-methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4-pentadienylphosphonate

2-methyl-4-palmitoyloxy-2-butenal

79-81-2

retinyl palmitate

Conditions
ConditionsYield
Stage #1: diethyl 3-methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4-pentadienylphosphonate With sodium t-butanolate In toluene at 0℃; for 0.5h; Inert atmosphere;
Stage #2: 2-methyl-4-palmitoyloxy-2-butenal In toluene for 3h; Reagent/catalyst; Solvent; Inert atmosphere;
89%
127-47-9

Retinol acetate

57-10-3

1-hexadecylcarboxylic acid

A

79-81-2

retinyl palmitate

B

68-26-8

RETINOL

Conditions
ConditionsYield
With Novozyme 435 (from Candida antarctica immobilized on acrylic resin); Amberlyst A-21 In toluene at 20℃; for 15h; Product distribution / selectivity; Enzymatic reaction;A 78%
B n/a
110-86-1

pyridine

68-26-8

RETINOL

112-67-4

n-hexadecanoyl chloride

79-81-2

retinyl palmitate

Conditions
ConditionsYield
With 1,2-dichloro-ethane
110-86-1

pyridine

(+/-)-9-palmitoyloxy-3.7-dimethyl-1-(2.2.6-trimethyl-cyclohexen-(6)-yl)-nonatrien-(2ξ.5c.7c)-ol-(4)

108-88-3

toluene

79-81-2

retinyl palmitate

Conditions
ConditionsYield
at 90 - 95℃;
Downstream Products
302-79-4
4759-48-2
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    Name: Vitamin A Palmitate Relative Name: Retinol Palmitate CAS No.: 79-81-2 EINECS : 201-228-5 Molecular Weight: 524.86 Molecular Formula: C36H60O2 Appearance: Yellow Crystalline Powder Storage:Store in cool and dry place, away from sun light.

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Chemistry

Molecular structure of Vitamin A palmitate (CAS NO.79-81-2) is:

Product Name: Vitamin A palmitate
CAS Registry Number: 79-81-2
IUPAC Name: [(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] hexadecanoate
Molecular Weight: 524.8604 [g/mol]
Molecular Formula: C36H60O2
XLogP3: 13.6
H-Bond Donor: 0
H-Bond Acceptor: 2 
EINECS: 201-228-5
Melting Point: 2-8°C
Surface Tension: 35.1 dyne/cm
Density: 0.92 g/cm3
Flash Point: 79.7 °C
Enthalpy of Vaporization: 90.28 kJ/mol
Boiling Point: 607.5 °C at 760 mmHg
Vapour Pressure: 1.05E-14 mmHg at 25°C
Product Categories: Vitamins and derivatives

Uses

 Vitamin A palmitate (CAS NO.79-81-2) is a synthetic alternate for retinyl acetate in vitamin A supplements, and is available in oily or dry forms. It is also a constituent of some topically-applied skin care products. Palmitate is an antioxidant and a vitamin A compound added to low fat milk and other dairy products to replace the vitamin content lost through the removal of milk fat. Palmitate is attached to the alcohol form of vitamin A, retinol, in order to make vitamin A stable in milk.

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 4760mg/kg (4760mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
Voprosy Onkologii. Problems of Oncology. For English translation, see PONCAU. Vol. 25(12), Pg. 84, 1979.
mouse LD50 oral 6060mg/kg (6060mg/kg)   Journal of the American Academy of Dermatology. Vol. 6, Pg. 652, 1982.
rat LD50 oral 7910mg/kg (7910mg/kg)   Journal of the American Academy of Dermatology. Vol. 6, Pg. 652, 1982.

Safety Profile

Hazard Codes: ToxicT, HarmfulXn
Risk Statements: 63 
R63:Possible risk of harm to the unborn child.
Safety Statements: 53-23-36/37/39-45-36/37 
S53:Avoid exposure - obtain special instructions before use. 
S23:Do not breathe vapour. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) 
S36/37:Wear suitable protective clothing and gloves.
WGK Germany: 3
RTECS: VH6860000
F: 8-10-23

Specification

 Vitamin A palmitate , its cas register number is 79-81-2. It also can be called Retinol palmitate ; Retinol, hexadecanoate ; Retinyl palmitate ; Retinol, all-trans-, palmitate ; Optovit-A ; Retinol, palmitate, all-trans- .