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Hexadecanal
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Name

Hexadecanal

 EINECS 211-111-0
CAS No. 629-80-1 Density 0.829 g/cm3
PSA 17.07000 LogP 5.66660
Solubility N/A Melting Point 36-38ºC
Formula C16H32O Boiling Point 297.8 °C at 760 mmHg
Molecular Weight 240.429 Flash Point 138.9 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 629-80-1 (Hexadecanal) Hazard Symbols N/A
Synonyms

Palmitaldehyde(6CI,8CI);1-Hexadecanal;Hexadecanaldehyde;Hexadecylaldehyde;n-Hexadecan-1-al;n-Hexadecanal;

Article Data 162

Hexadecanal Synthetic route

36653-82-4

1-Hexadecanol

629-80-1

n-hexadecylaldehyde

Conditions
ConditionsYield
With 4-acetylamino-2,2,6,6-tetramethylpiperidine-N-oxyl; toluene-4-sulfonic acid In dichloromethane 1) 0 deg C, 1 h, 2) r.t., 2.5 h;100%
With 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione In ethyl acetate at 60℃;99%
With pyridine; 1-chloro-1λ3-benzo[d][1,2]iodaoxol-3(1H)-one; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical In ethyl acetate at 20℃; for 1.5h;98%
112-67-4

n-hexadecanoyl chloride

629-80-1

n-hexadecylaldehyde

Conditions
ConditionsYield
With tri-n-butyl-tin hydride; tetrakis(triphenylphosphine) palladium(0) In benzene for 0.166667h; Ambient temperature;97%
With ammonium hydroxide; formic acid In diethyl ether; chloroform for 0.333333h; Ambient temperature;95%
With Amberlyst A-26 in the BH4(1-) form in column at 4-5 ml In hexane91.04%
112-82-3

hexadecanyl bromide

629-80-1

n-hexadecylaldehyde

Conditions
ConditionsYield
With sodium hydrogencarbonate; dimethyl sulfoxide; sodium iodide at 115℃; for 2.25h;96%
Multi-step reaction with 3 steps
1: 1.) NaH / 1.) 1,2-dimethoxyethane, 15 min; 2.) dimethoxyethane, 5 h, reflux
2: 74 percent / permaleic acid
3: 1.) trifluoroacetic anhydride; 2.) K2CO3 / 1.) 10 min, r.t.; 2.) 40percent CH3CN/H2O, 10 min,
View Scheme
6221-90-5

1-hexadecanol, trimethylsilyl ether

629-80-1

n-hexadecylaldehyde

Conditions
ConditionsYield
With ammonium cerium(IV) nitrate; HZSM-5 zeolite In water for 0.166667h; microwave irradiation;93%
With chromium(VI) oxide; HZSM-5 zeolite for 0.03h; microwave irradiation;83%
57-10-3

1-hexadecylcarboxylic acid

629-80-1

n-hexadecylaldehyde

Conditions
ConditionsYield
With ThxBHO-s-Bu In tetrahydrofuran at 25℃; for 96h;87%
Stage #1: 1-hexadecylcarboxylic acid With N,O-dimethylhydroxylamine*hydrochloride; N-ethyl-N,N-diisopropylamine; (bis-(2-methoxyethyl)amino)sulfur trufluoride In tetrahydrofuran; dichloromethane at 20℃; for 0.25h;
Stage #2: With diisobutylaluminium hydride In tetrahydrofuran; hexane; dichloromethane at -78℃; for 1h;		83%
With Bis(N-methylpiperazinyl) aluminum hydride In tetrahydrofuran for 8h; Heating;79%
112-92-5

1-octadecanol

629-80-1

n-hexadecylaldehyde

Conditions
ConditionsYield
Stage #1: 1-octadecanol With oxalyl dichloride; dimethyl sulfoxide In dichloromethane at -10℃; for 0.0833333h; Swern Oxidation; Inert atmosphere;
Stage #2: In dichloromethane at -10℃; for 0.25h; Swern Oxidation; Inert atmosphere;		87%
629-79-8

palmitonitrile

629-80-1

n-hexadecylaldehyde

Conditions
ConditionsYield
With hydrogenchloride; diethyl ether; tin(ll) chloride und beim Verseifen des Reaktionsprodukts mit warmem Wasser;
25022-78-0

2-hydroxyheptadecanoic acid

629-80-1

n-hexadecylaldehyde

Conditions
ConditionsYield
at 275 - 280℃;
4113-12-6

17-oxatritriacontane

A

544-76-3

Hexadecane

B

629-80-1

n-hexadecylaldehyde

Conditions
ConditionsYield
at 270℃;
at 270℃; Erhitzung;
2157-84-8

N-methyl-palmitanilide

629-80-1

n-hexadecylaldehyde

Conditions
ConditionsYield
With tetrahydrofuran; lithium aluminium tetrahydride

Hexadecanal Specification

The Hexadecanal is an organic compound with the formula C16H32O. The IUPAC name of this chemical is hexadecanal. With the CAS registry number 629-80-1, it is also named as Palmitaldehyde.

Physical properties about Hexadecanal are: (1)ACD/LogP: 7.28; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.28; (4)ACD/LogD (pH 7.4): 7.28; (5)ACD/BCF (pH 5.5): 201668.2; (6)ACD/BCF (pH 7.4): 201668.2; (7)ACD/KOC (pH 5.5): 218089.84; (8)ACD/KOC (pH 7.4): 218089.84; (9)#H bond acceptors: 1; (10)#Freely Rotating Bonds: 14; (11)Polar Surface Area: 17.07 Å2; (12)Index of Refraction: 1.439; (13)Molar Refractivity: 76.36 cm3; (14)Molar Volume: 289.9 cm3; (15)Polarizability: 30.27×10-24cm3; (16)Surface Tension: 29.8 dyne/cm; (17)Density: 0.829 g/cm3; (18)Flash Point: 138.9 °C; (19)Enthalpy of Vaporization: 53.77 kJ/mol; (20)Boiling Point: 297.8 °C at 760 mmHg; (21)Vapour Pressure: 0.00132 mmHg at 25°C.

Preparation of Hexadecanal: this chemical can be prepared by hexadecanoyl chloride. This reaction will need reagents palladium-barium sulfate, acetone.

Hexadecanal can be prepared by hexadecanoyl chloride

Uses of Hexadecanal: it can be used to produce hexadecan-1-ol at temperature of 20 °C. It will need reagents NiCl2, NaBH4 and solvent tetrahydrofuran with reaction time of 10 min. The yield is about 92%.

Hexadecanal can be used to produce hexadecan-1-ol

You can still convert the following datas into molecular structure:
(1)SMILES: O=CCCCCCCCCCCCCCCC
(2)InChI: InChI=1/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h16H,2-15H2,1H3
(3)InChIKey: NIOYUNMRJMEDGI-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h16H,2-15H2,1H3
(5)Std. InChIKey: NIOYUNMRJMEDGI-UHFFFAOYSA-N

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