CAS No.629-80-1,Hexadecanal Suppliers

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Basic Information

Molecular Structure:
CAS No.:	629-80-1
Name:	Hexadecanal
Article Data:	162

Formula:	C₁₆H₃₂O
Molecular Weight:	240.429
Synonyms:	Palmitaldehyde(6CI,8CI);1-Hexadecanal;Hexadecanaldehyde;Hexadecylaldehyde;n-Hexadecan-1-al;n-Hexadecanal;
EINECS:	211-111-0
Density:	0.829 g/cm³
Melting Point:	36-38ºC
Boiling Point:	297.8 °C at 760 mmHg
Flash Point:	138.9 °C
PSA:	17.07000
LogP:	5.66660

Synthetic route

: 36653-82-4
1-Hexadecanol

: 629-80-1
n-hexadecylaldehyde

Conditions

Conditions	Yield
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

Conditions	Yield
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 hexane	91.04%

: 112-82-3
hexadecanyl bromide

: 629-80-1
n-hexadecylaldehyde

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
at 275 - 280℃;

: 4113-12-6
17-oxatritriacontane

A: 544-76-3
Hexadecane

B: 629-80-1
n-hexadecylaldehyde

Conditions

Conditions	Yield
at 270℃;
at 270℃; Erhitzung;

: 2157-84-8
N-methyl-palmitanilide

: 629-80-1
n-hexadecylaldehyde

Conditions

Conditions	Yield
With tetrahydrofuran; lithium aluminium tetrahydride

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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