n-Pentadecane supplier | CasNO.629-62-9

Name
N-PENTADECANE
EINECS 211-098-1
CAS No. 629-62-9
Article Data110
CAS DataBase
Density 0.769 g/cm³
Solubility Immiscible with water.
Melting Point 8-10 °C(lit.)
Formula C₁₅H₃₂
Boiling Point 270.6 °C at 760 mmHg
Molecular Weight 212.419
Flash Point 132.2 °C
Transport Information
Appearance colourless liquid
Safety 62
Risk Codes 66-65
Molecular Structure
Hazard Symbols Xn
Synonyms NSC 172781;n-Pentadecane;
PSA 0.00000
LogP 6.09750

Synthetic route

: 75-66-1
2-methylpropan-2-thiol

: 106130-34-1
3-palmitoyloxy-4-phenylthiazolin-2(3H)-thione

A: 629-62-9
pentadecane

B: 106130-39-6
2-tert-Butyldisulfanyl-4-phenyl-thiazole

Conditions

Conditions	Yield
In benzene for 0.333333h; Ambient temperature; Irradiation;	A 97% B 98%

...Expand

: 1002-84-2
palmitic acid

A: 629-62-9
pentadecane

B: 629-76-5
pentadecanol

Conditions

Conditions	Yield
With hydrogen; Rh/Al2O3; molybdenum hexacarbonyl In 1,2-dimethoxyethane at 150℃; under 76000 Torr; for 16h;	A n/a B 98%

: 112-29-8
1-bromo dodecane

: 693-25-4
n-pentylmagnesium bromide

: 629-62-9
pentadecane

Conditions

Conditions	Yield
With N,N,N,N,-tetramethylethylenediamine; cobalt(II) chloride; lithium iodide In tetrahydrofuran at 10℃; for 1h; Inert atmosphere; chemoselective reaction;	98%

: 693-58-3
1-Bromononane

: 3761-92-0
n-hexylmagnesium bromide

: 629-62-9
pentadecane

Conditions

Conditions	Yield
With C66H84Ni; isoprene In tetrahydrofuran at 20℃; for 3h; Reagent/catalyst; Schlenk technique; Inert atmosphere;	97%

: 13360-61-7
1-pentadecene

: 629-62-9
pentadecane

Conditions

Conditions	Yield
With hydrogen; Rhodium chloride tri(triphenylphosphine-meta-trisulfonate) In water for 60h; Ambient temperature;	95%

: 5980-33-6
sodium 4-methylumbelliferonate

: 2528-61-2
Heptanoic acid chloride

A: 18319-92-1
4-Methylumbelliferyl heptanoate

B: 629-62-9
pentadecane

Conditions

Conditions	Yield
In dichloromethane; acetone	A n/a B 95%

...Expand

: 89861-46-1
N-methyl-N-palmitoyloxythiobenzamide

: 75-66-1
2-methylpropan-2-thiol

A: 629-62-9
pentadecane

B: 5310-14-5
N-methylthiobenzamide

C: 89861-52-9
N-Methyl-thiobenzimidic acid tert-butyl ester

Conditions

Conditions	Yield
In toluene for 1h; Heating;	A 85% B 48% C 34%

...Expand

: 89861-46-1
N-methyl-N-palmitoyloxythiobenzamide

: 75-66-1
2-methylpropan-2-thiol

A: 629-62-9
pentadecane

B: 5310-14-5
N-methylthiobenzamide

C: 59073-38-0
N-Methyl-thiobenzimidic acid tert-butyl ester

D: 106130-38-5
C12H17NS2

Conditions

Conditions	Yield
In toluene at 110℃; for 1h; Yield given;	A 85% B 48% C n/a D n/a

...Expand

: 89861-46-1
N-methyl-N-palmitoyloxythiobenzamide

A: 110-06-5
di-tert-butyl disulfide

B: 629-62-9
pentadecane

C: 5310-14-5
N-methylthiobenzamide

Conditions

Conditions	Yield
With 2-methylpropan-2-thiol In benzene for 0.5h; Heating;	A 150 mg B 83% C 82%

...Expand

: 89861-46-1
N-methyl-N-palmitoyloxythiobenzamide

A: 629-62-9
pentadecane

B: 5310-14-5
N-methylthiobenzamide

Conditions

Conditions	Yield
With 2-methylpropan-2-thiol In benzene at 80℃; for 0.5h;	A 83% B 82%

: 57-10-3
1-hexadecylcarboxylic acid

: 629-62-9
pentadecane

Conditions

Conditions	Yield
With terephthalonitrile; 2,3,3,4,4,5-hexamethyl-2-hexanethiol; phenanthrene In water; acetonitrile at 20℃; for 6h; Irradiation;	82%
5% Pt/titania at 300℃; for 4h; Product distribution / selectivity; Sealed vial; Inert atmosphere;	82.7%
With 1-hydroxy-2(1H)-pyridinethione; dmap; chloroform; dicyclohexyl-carbodiimide for 2h; Barton Decarboxylation; Reflux; Irradiation;	66%

: 89861-48-3
3-methyl-1-palmitoyloxy-2-thioxo-1,2-dihydroquinazoline-4-(3H)-one

A: 1705-09-5
3-methyl-4-oxoquinazoline-2-thione

B: 629-62-9
pentadecane

Conditions

Conditions	Yield
With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride In toluene for 1h; Heating;	A 82% B 57%

: 57-10-3
1-hexadecylcarboxylic acid

A: 629-62-9
pentadecane

B: 544-76-3
Hexadecane

Conditions

Conditions	Yield
With hydrogen In decane at 260℃; under 30003 Torr; Catalytic behavior; Mechanism; Reagent/catalyst; Autoclave;	A 19.23% B 80.56%
With hydrogen In decane at 260℃; under 7500.75 Torr; for 4h; Reagent/catalyst; Time; Pressure; Autoclave;	A 69.3% B 13.8%
With hydrogen at 170℃; under 18751.9 Torr; for 24h; Autoclave;

: 25354-97-6
2-hexyldecanoic acid

A: 629-62-9
pentadecane

B: 201230-82-2
carbon monoxide

Conditions

Conditions	Yield
With hydrogen at 200℃; under 7500.75 Torr; for 24h; Microwave irradiation;	A 78% B n/a

: 89861-48-3
3-methyl-1-palmitoyloxy-2-thioxo-1,2-dihydroquinazoline-4-(3H)-one

A: 1705-09-5
3-methyl-4-oxoquinazoline-2-thione

B: 629-62-9
pentadecane

C: 89861-50-7
3-Methyl-2-pentadecylsulfanyl-3H-quinazolin-4-one

Conditions

Conditions	Yield
With 2-methylpropan-2-thiol In xylene at 140℃; for 48h;	A 75% B 74% C 5%
In xylene at 140℃; for 40h;	A 23% B 16% C 54%

...Expand

: 57-10-3
1-hexadecylcarboxylic acid

A: 629-62-9
pentadecane

B: 69202-36-4
9-pentadecylacridine

C: 4838-42-0
9,10,9',10'-tetrahydro-9,9'-biacridyl

Conditions

Conditions	Yield
With acridine; 2-methylpropan-2-thiol In benzene for 2h; Irradiation; Yields of byproduct given;	A 72% B n/a C n/a

...Expand

: 39158-85-5
2-methyl-1-phenyl-1-trimethylsiloxy-1-propene

: 75-36-5
acetyl chloride

A: 629-62-9
pentadecane

B: 3815-34-7
2,2-dimethyl-1-phenyl-1,3-butanedione

C: 5170-76-3
2-methyl-1-phenyl-1-acetoxy-1-propene

D: 611-70-1
phenyl isopropyl ketone

Conditions

Conditions	Yield
With antimony(III) chloride In dichloromethane at 0℃; for 1h;	A n/a B 70% C 17 % Chromat. D n/a
With antimony(III) chloride In dichloromethane at 0℃; for 1h;	A n/a B 70 % Chromat. C 17 % Chromat. D n/a

...Expand

: 1095-04-1
triphenyl thiophosphite

: 89861-47-2
4-methyl-3-[(1-oxohexadecyl)oxy]-2(3H)-thiazolethione

A: 629-62-9
pentadecane

B: 597-83-1
Oxyde de tri(thiophenyl)phosphine

C: 110907-28-3
Pentadecyl-phosphonodithioic acid S,S-diphenyl ester

D: 108-98-5
thiophenol

Conditions

Conditions	Yield
With water Ambient temperature;	A n/a B n/a C 67% D n/a

...Expand

: 1095-04-1
triphenyl thiophosphite

: 89861-47-2
4-methyl-3-[(1-oxohexadecyl)oxy]-2(3H)-thiazolethione

A: 629-62-9
pentadecane

B: 597-83-1
Oxyde de tri(thiophenyl)phosphine

C: 110907-28-3
Pentadecyl-phosphonodithioic acid S,S-diphenyl ester

D: 108-98-5
thiophenol

E: 5685-06-3
4-methylthiazole-2-thiol

Conditions

Conditions	Yield
With water In chlorobenzene Product distribution; Ambient temperature; effect of amount of reactant, without solvent;	A n/a B n/a C 67% D n/a E n/a

...Expand

: 1095-04-1
triphenyl thiophosphite

: 89861-47-2
4-methyl-3-[(1-oxohexadecyl)oxy]-2(3H)-thiazolethione

A: 629-62-9
pentadecane

B: 110907-28-3
Pentadecyl-phosphonodithioic acid S,S-diphenyl ester

C: 108-98-5
thiophenol

D: 5685-06-3
4-methylthiazole-2-thiol

Conditions

Conditions	Yield
With water In chlorobenzene Ambient temperature;	A n/a B 67% C n/a D n/a

...Expand

: 57-10-3
1-hexadecylcarboxylic acid

A: 629-62-9
pentadecane

B: 103330-28-5
6-pentadecyl-phenanthridine

Conditions

Conditions	Yield
With phenanthridine; 2-methylpropan-2-thiol In benzene for 6h; Product distribution; Irradiation; Variation of aza aromatic compound.;	A 66% B n/a

: 629-62-9
pentadecane

: 36340-20-2
n-pentadecane-d32

Conditions

Conditions	Yield
With d8-isopropanol; 5% rhodium-on-charcoal; 10% Pt/activated carbon; water-d2 at 120℃; for 24h; Sealed tube;	92%
With water-d2; palladium on activated charcoal at 250℃; for 16h;
With 5% rhodium-on-charcoal; hydrogen; water-d2 at 160℃; for 12h;

: 629-62-9
pentadecane

: (4R,5S)-2-phenyl-4-vinyl-1,3-dioxan-5-ol

: (4R,5S)-4-((E)-pentadec-1-en-1-yl)-2-phenyl-1,3-dioxan-5-ol

Conditions

Conditions	Yield
With tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride In dichloromethane Reflux;	75%

n-Pentadecane Consensus Reports

Reported in EPA TSCA Inventory.

n-Pentadecane Specification

The n-Pentadecane, also known as NSC 172781, is an organic compound with the formula C₁₅H₃₂. It belongs to the product categories of Analytical Chemistry; n-Paraffins (GC Standard); Standard Materials for GC; Acyclic; Alkanes; Organic Building Blocks; Chemical Class; Hydrocarbons; Neats Alphabetic; P; PA - Pen; Alpha Sort; P-SAlphabetic; Volatiles/ Semivolatiles. Its EINECS registry number is 211-098-1. With the CAS registry number 629-62-9, its IUPAC name is pentadecane. The product should be sealed and stored in cool and dry place. What's more, it should be protected from oxides.

Physical properties of n-Pentadecane: (1)ACD/LogP: 8.73; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.73; (4)ACD/LogD (pH 7.4): 8.73; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 1329826.63; (8)ACD/KOC (pH 7.4): 1329826.63; (9)#Freely Rotating Bonds: 12; (10)Index of Refraction: 1.431; (11)Molar Refractivity: 71.54 cm³; (12)Molar Volume: 276.1 cm³; (13)Surface Tension: 26.9 dyne/cm; (14)Density: 0.769 g/cm³; (15)Flash Point: 132.2 °C; (16)Enthalpy of Vaporization: 48.83 kJ/mol; (17)Boiling Point: 270.6 °C at 760 mmHg; (18)Vapour Pressure: 0.0112 mmHg at 25°C.

Preparation of n-Pentadecane: this chemical can be prepared by pentadec-1-ene. This reaction will need reagent H₂, catalyst Rhodium chloride tri(triphenylphosphine-meta-trisulfonate) and solvent H₂O. The reaction time is 60 hours at ambient temperature. The yield is about 95%.

n-Pentadecane can be prepared by pentadec-1-ene

When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health and may cause lung damage if swallowed. Repeated exposure may cause skin dryness or cracking.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCCCCC
(2)InChI: InChI=1S/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3
(3)InChIKey: YCOZIPAWZNQLMR-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	3494mg/kg (3494mg/kg)		Journal of Pharmaceutical Sciences. Vol. 67, Pg. 566, 1978.

Product Name

N-PENTADECANE

Synthetic route

n-Pentadecane Consensus Reports

n-Pentadecane Specification

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