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629-76-5

Basic Information
CAS No.: 629-76-5
Name: 1-Pentadecanol
Article Data: 47
Molecular Structure:
Molecular Structure of 629-76-5 (1-Pentadecanol)
Formula: C15H32O
Molecular Weight: 228.418
Synonyms: Pentadecanol(6CI);Alfol 15;NSC 66446;Pentadecyl alcohol;n-1-Pentadecanol;n-Pentadecanol;
EINECS: 211-107-9
Density: 0.834 g/cm3
Melting Point: 41-44 °C(lit. )
Boiling Point: 298.5 °C at 760 mmHg
Flash Point: 130.1 °C
Appearance: white solid
Safety: 24/25
PSA: 20.23000
LogP: 5.06990
Synthetic route
1002-84-2

palmitic acid

A

629-62-9

pentadecane

B

629-76-5

pentadecanol

Conditions
ConditionsYield
With hydrogen; Rh/Al2O3; molybdenum hexacarbonyl In 1,2-dimethoxyethane at 150℃; under 76000 Torr; for 16h;A n/a
B 98%
1002-84-2

palmitic acid

629-76-5

pentadecanol

Conditions
ConditionsYield
With hydrogen; Rh/Al2O3; molybdenum hexacarbonyl In 1,2-dimethoxyethane at 150℃; under 76000 Torr; for 16h; Product distribution; further catalysts;98%
16346-16-0

pentadec-14-en-1-ol

629-76-5

pentadecanol

Conditions
ConditionsYield
With palladium 10% on activated carbon; hydrogen In ethyl acetate under 760.051 Torr; for 6h;96%
6064-48-8

1-hydroxy-2(E)-pentadecene

629-76-5

pentadecanol

Conditions
ConditionsYield
With hydrogen; palladium on activated charcoal In various solvent(s) at 20℃; under 760 Torr; for 4h;95%
89861-47-2

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

629-76-5

pentadecanol

Conditions
ConditionsYield
With antimony triphenylsulphide In diethyl ether for 12h; Ambient temperature;90%
With oxygen; thiophenol; antimony tris-benzenethiolate In diethyl ether for 4h; Ambient temperature;85%
With 2,3,3,4,4,5-hexamethyl-2-hexanethiol; oxygen; triphenylphosphine 1.) toluene, irradiation, room temperature; Yield given. Multistep reaction;
18300-91-9

pentadecanenitrile

629-76-5

pentadecanol

Conditions
ConditionsYield
With (carbonyl)(chloro)(hydrido)tris(triphenylphosphine)ruthenium(II); water; hydrogen In 1,4-dioxane at 140℃; under 7500.75 Torr; for 18h; Autoclave;90%

tert-butyldimethyl(pentadecyloxy)silane

629-76-5

pentadecanol

Conditions
ConditionsYield
With tetrabutyl ammonium fluoride In tetrahydrofuran at 0 - 20℃; for 6h; Inert atmosphere;87.4%
89861-47-2

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

A

629-62-9

pentadecane

B

629-76-5

pentadecanol

Conditions
ConditionsYield
With hydrogenchloride; antimony triphenylsulphide In chlorobenzene for 2h; Heating;A 85%
B n/a
With hydrogenchloride; thiophenol; antimony tris-benzenethiolate Yield given. Multistep reaction. Yields of byproduct given;
89025-67-2

N-palmitoxy-2-pyridinethione

629-76-5

pentadecanol

Conditions
ConditionsYield
With antimony triphenylsulphide In diethyl ether for 1h; Ambient temperature;75%
89861-47-2

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

A

629-76-5

pentadecanol

B

110907-36-3

4-Methyl-2-phenyldisulfanyl-thiazole

C

89861-51-8

pentadecyl thiazolyl sulphide

D

5685-06-3

4-methylthiazole-2-thiol

Conditions
ConditionsYield
With thiophenol; antimony tris-benzenethiolate In chlorobenzene at 90℃; Further byproducts given;A 70%
B 20%
C 8%
D 55%
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    Product Name: 1-PENTADECANOL Synonyms: N-PENTADECANOL;N-PENTADECYL ALCOHOL;PENTADECANOL;PENTADECYL ALCOHOL;n-1-Pentadecanol;Neodol 5;pentadecan-1-ol;Pentadecanol-(1) CAS: 629-76-5 MF: C15H32O MW: 228.41 EINECS: 211-107-9

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  • 1-PENTADECANOL CAS No.629-76-5

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    1-PENTADECANOL CAS No.629-76-5

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Specification

The 1-Pentadecanol, with the CAS registry number of 629-76-5, is also known as n-1-Pentadecanol and Neodol 5. It belongs to the product categories of 1-Alkanols; Biochemistry; Higher Fatty Acids & Higher Alcohols; Monofunctional & Alpha, Omega-Bifunctional Alkanes; Monofunctional Alkanes; Saturated Higher Alcohols. Its EINECS registry number is 211-107-9. This chemical's molecular formula is C15H32O and molecular weight is 228.41. What's more, its IUPAC name is Pentadecan-1-ol. This chemical is low toxicity. During using it, avoid contact with skin and eyes. In addition, it should be stored in dry, cool, airtight place and avoid contact with oxidant.

Physical properties about 1-Pentadecanol are: (1)ACD/LogP: 6.72; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.72; (4)ACD/LogD (pH 7.4): 6.72; (5)ACD/BCF (pH 5.5): 75378.14; (6)ACD/BCF (pH 7.4): 75378.14; (7)ACD/KOC (pH 5.5): 107823.26; (8)ACD/KOC (pH 7.4): 107823.26; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.446; (14)Molar Refractivity: 73.07 cm3; (15)Molar Volume: 273.6 cm3; (16)Polarizability: 28.96×10-24 cm3; (17)Surface Tension: 30.9 dyne/cm; (18)Density: 0.834 g/cm3; (19)Flash Point: 130.1 °C; (20)Enthalpy of Vaporization: 62.46 kJ/mol; (21)Boiling Point: 298.5 °C at 760 mmHg; (22)Melting Point: 41-44 °C(lit. ); (23)Vapour Pressure: 0.000127 mmHg at 25°C.

Preparation: this chemical is prepared from N-Palmitoxy-2-pyridinethione at ambient temperature. The reaction needs reagent antimony Trisphenylsulphide and solvent Diethyl ether. The reaction time is 1 hour. The yield is about 75%.

Uses: (1) it is used as solvent or gas chromatography standard substance. (2) it is used to produce other chemicals. For example, it can react with 2, 5-Dioxo-2, 5-dihydro-furan-3-sulfonic acid to give 2-Sulfo-but-2-enedioic acid 4-pentadecyl ester. The condition of this reaction is reaction time of 1 hour at 70 °C. The yield is about 96%.

You can still convert the following datas into molecular structure:
(1) SMILES: OCCCCCCCCCCCCCCC
(2) InChI: InChI=1/C15H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h16H,2-15H2,1H3
(3) InChIKey: REIUXOLGHVXAEO-UHFFFAOYAZ