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CAS No.: | 506-13-8 |
---|---|
Name: | 16-HYDROXYHEXADECANOIC ACID |
Article Data: | 38 |
Molecular Structure: | |
Formula: | C16H32O3 |
Molecular Weight: | 272.428 |
Synonyms: | Junipericacid (6CI);16-Hydroxyhexadecanoic acid;16-Hydroxypalmitic acid;Lanopalmiticacid;NSC 159292;Palmitic acid, 16-hydroxy-;w-Hydroxyhexadecanoic acid;w-Hydroxypalmitic acid; |
EINECS: | 208-028-7 |
Density: | 0.956g/cm3 |
Melting Point: | 94-98 °C(lit.) |
Boiling Point: | 414.4 °C at 760 mmHg |
Flash Point: | 218.6 °C |
Appearance: | white crystalline powder |
Risk Codes: | 36/37/38 |
Safety: | 22-24/25 |
PSA: | 57.53000 |
LogP: | 4.52470 |
16-hydroxy-9-hexadecenoic acid
16-hydroxyhexadecanoic acid
Conditions | Yield |
---|---|
With hydrogen; palladium on activated charcoal | 100% |
With hydrogen; palladium on activated charcoal |
16-Hydroxy-hexadeca-10,12-diynoic acid
16-hydroxyhexadecanoic acid
Conditions | Yield |
---|---|
With hydrogen; platinum(IV) oxide In methanol under 760 Torr; for 1h; | 98% |
Conditions | Yield |
---|---|
With water; tetra(n-butyl)ammonium hydrogensulfate; sodium hydroxide In toluene at 95℃; for 6h; | 97% |
With potassium hydroxide; polystyrene-CH2=O(CH2CH2O)6.4H copolymer In hexane at 70℃; for 5h; | 96% |
With sodium hydroxide; tetra(n-butyl)ammonium hydrogensulfate In benzene at 70℃; | 85% |
iron(III)-acetylacetonate
1-Hexadecanol
A
4-hydroxy-5-methylpentan-2-one
B
hexadecyl acetate
C
16-hydroxyhexadecanoic acid
Conditions | Yield |
---|---|
at 80 - 300℃; under 760.051 Torr; for 2h; Green chemistry; | A n/a B n/a C n/a D 95% |
Conditions | Yield |
---|---|
With hydrogen; palladium on activated charcoal In ethanol | 80% |
15-hexadecanolide
(Z)-9-octadecen-1-amine
A
16-hydroxyhexadecanoic acid
B
N-oleyl-16-hydroxyhexadecanoylamine
Conditions | Yield |
---|---|
With lipase PS from Pseudomonas cepacia; water In Hexadecane at 60℃; for 24h; Miniemulsion system; Enzymatic reaction; | A 77% B 14% |
Conditions | Yield |
---|---|
(microbiological transformation); |
adipic acid monomethyl ester
12-acetoxydodecanoic acid
16-hydroxyhexadecanoic acid
Conditions | Yield |
---|---|
(i) Na, MeOH, (electrolysis), (ii) KOH, EtOH; Multistep reaction; |
azelaic acid monoethyl ester
9-acetoxy nonanoic acid
16-hydroxyhexadecanoic acid
Conditions | Yield |
---|---|
(i) (electrochemical oxidation), aq. K2CO3, (ii) KOH, EtOH; Multistep reaction; |
Conditions | Yield |
---|---|
(i) (electrochemical oxidation), aq. K2CO3, (ii) KOH, EtOH; Multistep reaction; |
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The Hexadecanoic acid,16-hydroxy-, with CAS registry number 506-13-8, belongs to the following product categories: (1)omega-Functional Alkanols, Carboxylic Acids, Amines & Halides; (2)omega-Hydroxycarboxylic Acids. It has the systematic name of 16-hydroxyhexadecanoic acid. And the chemical formula of this chemical is C16H32O3. This chemical is a kind of white crystalline powder. It should be stored at the temperature of 2-8°C.
Physical properties of Hexadecanoic acid,16-hydroxy-: (1)ACD/LogP: 5.15; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.35; (4)ACD/LogD (pH 7.4): 2.56; (5)ACD/BCF (pH 5.5): 769.52; (6)ACD/BCF (pH 7.4): 12.35; (7)ACD/KOC (pH 5.5): 2405.94; (8)ACD/KOC (pH 7.4): 38.6; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 16; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.468; (14)Molar Refractivity: 79.27 cm3; (15)Molar Volume: 284.7 cm3; (16)Polarizability: 31.42×10-24cm3; (17)Surface Tension: 38 dyne/cm; (18)Density: 0.956 g/cm3; (19)Flash Point: 218.6 °C; (20)Enthalpy of Vaporization: 77.1 kJ/mol; (21)Boiling Point: 414.4 °C at 760 mmHg; (22)Vapour Pressure: 1.34E-08 mmHg at 25°C.
Preparation: this chemical can be prepared by oxacycloheptadecan-2-one. This reaction will need reagent aq. NaOH and solvent ethanol.
Uses of Hexadecanoic acid,16-hydroxy-: it can be used to produce oxacycloheptadecan-2-one. This reaction will need solvent heptane. The reaction time is 8 hour(s) with reaction temperature of 40 ℃. The yield is about 50%.
When you are using this chemical, please be cautious about it as the following:
The Hexadecanoic acid,16-hydroxy- irritates to eyes, respiratory system and skin. When use it, do not breathe dust and avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCCCCCCCCCCCCCCO
(2)InChI: InChI=1/C16H32O3/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h17H,1-15H2,(H,18,19)
(3)InChIKey: UGAGPNKCDRTDHP-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C16H32O3/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h17H,1-15H2,(H,18,19)
(5)Std. InChIKey: UGAGPNKCDRTDHP-UHFFFAOYSA-N