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Cas Database

Name	Hexadecanoic acid,16-hydroxy-	EINECS	208-028-7
CAS No.	506-13-8	Density	0.956g/cm³
PSA	57.53000	LogP	4.52470
Solubility	N/A	Melting Point	94-98 °C(lit.)
Formula	C₁₆H₃₂O₃	Boiling Point	414.4 °C at 760 mmHg
Molecular Weight	272.428	Flash Point	218.6 °C
Transport Information	N/A	Appearance	white crystalline powder
Safety	22-24/25	Risk Codes	36/37/38
Molecular Structure		Hazard Symbols	N/A
Synonyms	Junipericacid (6CI);16-Hydroxyhexadecanoic acid;16-Hydroxypalmitic acid;Lanopalmiticacid;NSC 159292;Palmitic acid, 16-hydroxy-;w-Hydroxyhexadecanoic acid;w-Hydroxypalmitic acid;	Article Data	38

Hexadecanoic acid,16-hydroxy- Synthetic route

: 1619-68-7, 17278-80-7, 18951-79-6
16-hydroxy-9-hexadecenoic acid

: 506-13-8
16-hydroxyhexadecanoic acid

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal	100%
With hydrogen; palladium on activated charcoal

: 91544-43-3
16-Hydroxy-hexadeca-10,12-diynoic acid

: 506-13-8
16-hydroxyhexadecanoic acid

Conditions

Conditions	Yield
With hydrogen; platinum(IV) oxide In methanol under 760 Torr; for 1h;	98%

: 109-29-5
15-hexadecanolide

: 506-13-8
16-hydroxyhexadecanoic acid

Conditions

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%

: 14024-18-1
iron(III)-acetylacetonate

: 36653-82-4
1-Hexadecanol

A: 56072-26-5
4-hydroxy-5-methylpentan-2-one

B: 629-70-9
hexadecyl acetate

C: 506-13-8
16-hydroxyhexadecanoic acid

: iron(III) oxide

Conditions

Conditions	Yield
at 80 - 300℃; under 760.051 Torr; for 2h; Green chemistry;	A n/a B n/a C n/a D 95%

...Expand

: 1619-68-7
16-Hydroxy-cis-hexadec-9-enoic acid

: 506-13-8
16-hydroxyhexadecanoic acid

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal In ethanol	80%

: 109-29-5
15-hexadecanolide

: 112-90-3
(Z)-9-octadecen-1-amine

A: 506-13-8
16-hydroxyhexadecanoic acid

B: 1220909-16-9
N-oleyl-16-hydroxyhexadecanoylamine

Conditions

Conditions	Yield
With lipase PS from Pseudomonas cepacia; water In Hexadecane at 60℃; for 24h; Miniemulsion system; Enzymatic reaction;	A 77% B 14%

: 544-76-3
Hexadecane

: 506-13-8
16-hydroxyhexadecanoic acid

Conditions

Conditions	Yield
(microbiological transformation);

: 627-91-8
adipic acid monomethyl ester

: 100912-48-9
12-acetoxydodecanoic acid

: 506-13-8
16-hydroxyhexadecanoic acid

Conditions

Conditions	Yield
(i) Na, MeOH, (electrolysis), (ii) KOH, EtOH; Multistep reaction;

: 1593-55-1
azelaic acid monoethyl ester

: 30993-88-5
9-acetoxy nonanoic acid

: 506-13-8
16-hydroxyhexadecanoic acid

Conditions

Conditions	Yield
(i) (electrochemical oxidation), aq. K2CO3, (ii) KOH, EtOH; Multistep reaction;

: 1593-55-1
azelaic acid monoethyl ester

: 9-Isovaleroyloxy-nonansaeure-(1)

: 506-13-8
16-hydroxyhexadecanoic acid

Conditions

Conditions	Yield
(i) (electrochemical oxidation), aq. K2CO3, (ii) KOH, EtOH; Multistep reaction;

Hexadecanoic acid,16-hydroxy- Specification

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.

Hexadecanoic acid,16-hydroxy- can be prepared by oxacycloheptadecan-2-one.

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%.

Uses of Hexadecanoic acid,16-hydroxy-: it can be used to produce oxacycloheptadecan-2-one

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

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