1-Pentadecanol supplier | CasNO.629-76-5

Name
1-Pentadecanol
EINECS 211-107-9
CAS No. 629-76-5
Article Data47
CAS DataBase
Density 0.834 g/cm³
Solubility
Melting Point 41-44 °C(lit. )
Formula C₁₅H₃₂O
Boiling Point 298.5 °C at 760 mmHg
Molecular Weight 228.418
Flash Point 130.1 °C
Transport Information
Appearance white solid
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Pentadecanol(6CI);Alfol 15;NSC 66446;Pentadecyl alcohol;n-1-Pentadecanol;n-Pentadecanol;
PSA 20.23000
LogP 5.06990

Synthetic route

: 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%

: 1002-84-2
palmitic acid

: 629-76-5
pentadecanol

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
With thiophenol; antimony tris-benzenethiolate In chlorobenzene at 90℃; Further byproducts given;	A 70% B 20% C 8% D 55%

...Expand

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

D: 882-33-7
diphenyldisulfane

Conditions

Conditions	Yield
With thiophenol; antimony tris-benzenethiolate In chlorobenzene at 90℃;	A 70% B 20% C 55% D n/a

...Expand

: 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

E: 882-33-7
diphenyldisulfane

Conditions

Conditions	Yield
With antimony triphenylsulphide In chlorobenzene for 2h; Mechanism; Heating; in the presence air, or HCl, or N2O4, or I2; reactions of group Va elements trisphenylsulphides were examined;	A 70% B n/a C n/a D n/a E n/a

...Expand

: 130340-56-6
2-(3-carboxypropyl)-5-(12-hydroxydodecyl)thiophene

A: 629-76-5
pentadecanol

B: 112-70-9
tridecan-1-ol

C: 36653-82-4
1-Hexadecanol

D: 62643-46-3
20-hydroxyeicosanoic acid

Conditions

Conditions	Yield
With Raney nickel W-2 In ethanol for 2h; Heating; Further byproducts given;	A 2.8% B 3.5% C 12.6% D 65%

...Expand

: 629-72-1
pentadecyl bromide

: 584-08-7
potassium carbonate

A: 145197-00-8
dipentadecanylcarbonate

B: 629-76-5
pentadecanol

Conditions

Conditions	Yield
With 3-butyl-1-methyl-1H-imidazol-3-ium hexafluorophosphate at 110℃; for 72h;	A 59% B 4%

...Expand

: 50-00-0
formaldehyd

: 88303-25-7
tetradecylmagnesium bromide

A: 629-76-5
pentadecanol

B: 630-02-4
octacosane

Conditions

Conditions	Yield
at 105℃; zuletzt bei 110grad;

...Expand

: 60998-25-6
pentadeca-2,4-dienal

: 629-76-5
pentadecanol

Conditions

Conditions	Yield
With ethanol; nickel Hydrogenation;

: 629-72-1
pentadecyl bromide

: 629-76-5
pentadecanol

Conditions

Conditions	Yield
With silver(I) acetate at 150℃; und Erwaermen des Reaktionsprodukts mit methanol.Kalilauge;

: 629-73-2
1-Hexadecene

: 629-76-5
pentadecanol

Conditions

Conditions	Yield
With 2,2,4-trimethylpentane; ozone und anschliessenden Hydrierung an Nickel/Kieselgur,zuletzt bei 140grad/40at;

: 41114-00-5
ethyl pentadecanoate

: 629-76-5
pentadecanol

Conditions

Conditions	Yield
With copper chromite at 250℃; under 154457 Torr; Hydrogenation;

: 18299-77-9
palmitic acid pentadecyl ester

: 629-76-5
pentadecanol

Conditions

Conditions	Yield
With potassium hydroxide

: 2624-31-9
potassium palmitate

: 629-76-5
pentadecanol

Conditions

Conditions	Yield
With ethanol Electrolysis.Kochen des entstandenen Esters mit Kalilauge;

: 50-00-0
formaldehyd

: 112-71-0
1-Bromotetradecane

: 629-76-5
pentadecanol

Conditions

Conditions	Yield
(i) Mg, Et2O, (ii) /BRN= 1209228/; Multistep reaction;

: 629-62-9
pentadecane

: 629-76-5
pentadecanol

Conditions

Conditions	Yield
(i) (microbiological transformation), (ii) (hydrolysis); Multistep reaction;

: 57-10-3
1-hexadecylcarboxylic acid

A: 629-76-5
pentadecanol

B: 638-68-6
n-triacontane

Conditions

Conditions	Yield
With sodium hydroxide; dihydrogen peroxide In methanol

: 260-94-6
acridine

: 57-10-3
1-hexadecylcarboxylic acid

A: 629-76-5
pentadecanol

B: 2765-11-9
n-pentadecanal

C: 69202-36-4
9-pentadecylacridine

Conditions

Conditions	Yield
With dimethylsulfide; oxygen 1) toluene, irradiation, 4 h, 2) MeOH, 1 h; Yield given. Multistep reaction. Yields of byproduct given;

...Expand

: 50-00-0
formaldehyd

: tetradecyl magnesium iodide

: 629-76-5
pentadecanol

Conditions

Conditions	Yield
With water Multistep reaction;

: 89537-68-8
(R)-1-phenyl-1-pentadecanol

: 629-76-5
pentadecanol

Conditions

Conditions	Yield
With sodium periodate; lithium aluminium tetrahydride; ruthenium tetroxide 1.) CH2Cl2/H2O, 2.) Et2O; Multistep reaction;

: 89537-66-6
(S)-1-phenyl-1-pentadecanol

: 629-76-5
pentadecanol

Conditions

Conditions	Yield
With sodium periodate; lithium aluminium tetrahydride; ruthenium tetroxide 1.) CH2Cl2/H2O, 2.) Et2O; Multistep reaction;

: 57-10-3
1-hexadecylcarboxylic acid

A: 629-76-5
pentadecanol

B: 2765-11-9
n-pentadecanal

C: 69202-36-4
9-pentadecylacridine

Conditions

Conditions	Yield
With acridine; dimethylsulfide; oxygen 1) toluene, irradiation, 4 h, 2) MeOH, 1 h; Yield given. Multistep reaction. Yields of byproduct given;

...Expand

: 3811-73-2
2-mercaptopyridine-1-oxide sodium salt

: 112-67-4
n-hexadecanoyl chloride

A: 24367-44-0
2-(2-tert-butyldisulfanyl)pyridine

B: 629-62-9
pentadecane

C: 629-76-5
pentadecanol

Conditions

Conditions	Yield
With dimethylsulfide; oxygen; 2-methylpropan-2-thiol; dmap Product distribution; multistep reaction: 1) 80 deg C; 2) 80 deg C; investigation of reaction with various molar ratios and (MeO3)P;

...Expand

: 629-76-5
pentadecanol

: 2765-11-9
n-pentadecanal

Conditions

Conditions	Yield
With oxalyl dichloride; dimethyl sulfoxide; triethylamine In dichloromethane at -78℃; Swern oxidation;	100%
With pyridinium chlorochromate In dichloromethane for 4h;	90%
With silica gel; 4-acetylamino-2,2,6,6-tetramethylpiperidine-1-oxoammonium tetrafluoroborate In dichloromethane at 20℃; Inert atmosphere;	90.8%

: 629-76-5
pentadecanol

: 6214-59-1
3-(thymine-1-yl)propionic acid

: pentadecyl 3-(thymin-1-yl)propionate

Conditions

Conditions	Yield
With dicyclohexyl-carbodiimide In pyridine at 0 - 20℃; for 48h;	100%

: 629-76-5
pentadecanol

: 86-93-1
1-Phenyl-1H-tetrazole-5-thiol

: 861997-80-0
5-pentadecylsulfanyl-1-phenyl-1H-tetrazole

Conditions

Conditions	Yield
With di-isopropyl azodicarboxylate; triphenylphosphine for 0.166667h;	99%

: 625-38-7
but-3-enoic acid

: 629-76-5
pentadecanol

: 1092972-96-7
pentadecanyl but-3-enoate

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃; for 6h;	99%

: 40336-85-4
sulphomaleic anhydride

: 629-76-5
pentadecanol

: (E)-2-Sulfo-but-2-enedioic acid 4-pentadecyl ester

Conditions

Conditions	Yield
at 70℃; for 1h;	96%

: 629-76-5
pentadecanol

: 13734-41-3
t-Boc-L-valine

: 126686-57-5
(S)-2-tert-Butoxycarbonylamino-3-methyl-butyric acid pentadecyl ester

Conditions

Conditions	Yield
With dmap; TEA In dichloromethane at 0℃; for 0.5h;	96%

: 629-76-5
pentadecanol

: 13734-34-4
N-tert-butoxycarbonyl-L-phenylalanine

: 126686-60-0
(S)-2-tert-Butoxycarbonylamino-3-phenyl-propionic acid pentadecyl ester

Conditions

Conditions	Yield
With dmap; TEA In dichloromethane at 0℃; for 0.5h;	96%

: 629-76-5
pentadecanol

: 1034292-76-6
5'-O-(4,4'-dimethoxytrityl)-2',3'-O-disuccinyluridine

: 1034293-16-7
C68H98N2O14

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In toluene at 20℃; for 72h; Inert atmosphere;	95%

: 629-76-5
pentadecanol

: 203256-20-6
[4-(7-Diethylamino-2-oxo-2H-chromen-3-yl)-phenyl]-oxo-acetonitrile

: 4-(7-Diethylamino-2-oxo-2H-chromen-3-yl)-benzoic acid pentadecyl ester

Conditions

Conditions	Yield
With dmap In acetonitrile for 1.5h; Heating;	92%

: 913966-90-2
2-bromo-3,4,4-trichloro-3-butenoyl chloride

: 629-76-5
pentadecanol

: 1-pentadecyl 2-bromo-3,4,4-trichlorobut-3-enoate

Conditions

Conditions	Yield
With pyridine In benzene at 20 - 23℃;	90%

: 629-76-5
pentadecanol

: 142-62-1
hexanoic acid

: hexanoic acid pentadecyl ester

Conditions

Conditions	Yield
With silphos at 20℃; for 0.0833333h; Neat (no solvent);	90%

: 629-76-5
pentadecanol

: 629-63-0
myristonitrile

Conditions

Conditions	Yield
With 2,3'-bipyridine; ammonium hydroxide; copper(l) iodide; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; oxygen In acetonitrile at 50℃; for 24h;	90%

: 838-85-7
diphenyl hydrogen phosphate

: 629-76-5
pentadecanol

: 1354973-90-2
C27H41O4P

Conditions

Conditions	Yield
With pyridine; trichloroacetonitrile; triphenylphosphine In dichloromethane at 20℃; for 5.5h;	89%

: 629-76-5
pentadecanol

: 927-58-2
4-bromobutyroyl chloride

: 959258-35-6
pentadecyl 4-bromobutanoate

Conditions

Conditions	Yield
sulfuric acid In dichloromethane at 0 - 20℃; for 4.5h; Inert atmosphere;	88%

: 629-76-5
pentadecanol

: 5105-78-2
4-(benzyloxycarbonylamino)butyric acid

: 126686-61-1
4-Benzyloxycarbonylamino-butyric acid pentadecyl ester

Conditions

Conditions	Yield
With dmap; TEA In dichloromethane at 0℃; for 0.5h;	87%

: 629-76-5
pentadecanol

: 181425-91-2
diethyl 5-(hydroxymethyl)isophthalate

: 1416739-21-3
C39H68O5

Conditions

Conditions	Yield
With titanium(IV)isopropoxide at 130℃; for 72h; Inert atmosphere;	87%

: 629-76-5
pentadecanol

: 227007-70-7
8-(4-bromophenyl)-8-hydroxy-5-methyl-8H-[1,4]thiazino[3,4-c][1,2,4]oxadiazol-3-one

: 8-(4-bromophenyl)-5-methyl-8-pentadecyloxy-8H-[1,4]thiazino[3,4-c][1,2,4]oxadiazol-3-one

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In toluene for 3.2h; Heating;	86%

: 629-76-5
pentadecanol

: 145193-13-1
8-(4-chlorophenyl)-8-hydroxy-5-methyl-8H-<1,4>thiazino<3,4-c><1,2,4>oxadiazol-3-one

: 8-(4-chloro-phenyl)-5-methyl-8-pentadecyloxy-8H-[1,2,4]oxadiazolo[3,4-c][1,4]thiazin-3-one

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In toluene for 3.2h; Heating;	85%
With toluene-4-sulfonic acid In toluene Reflux;

: 629-76-5
pentadecanol

: 2351-37-3
4,4'-biphenyldicarboxylic acid dichloride

: 80911-53-1
Biphenyl-4,4'-dicarboxylic acid dipentadecyl ester

Conditions

Conditions	Yield
With pyridine In diethyl ether at 18 - 23℃;	84%

: 629-76-5
pentadecanol

: 220769-88-0
4,5-dichloroisothiazole-3-carboxylic acid chloride

: pentadecyl 4,5-dichloroisothiazole-3-carboxylate

Conditions

Conditions	Yield
With pyridine In diethyl ether at 20 - 25℃;	81%

: 629-76-5
pentadecanol

: 484067-66-5
3,3,4-trichloro-3-butenoyl chloride

: 3,4,4-trichloro-but-3-enoic acid pentadecyl ester

Conditions

Conditions	Yield
With pyridine In diethyl ether at 20 - 23℃; for 22h;	81%

: 629-76-5
pentadecanol

: 64-17-5
ethanol

: 75-05-8
acetonitrile

A: 36555-73-4
Diaethyl-pentadecyl-amin

B: 121-44-8
triethylamine

Conditions

Conditions	Yield
With hydrogen; copper at 240℃; under 7600 Torr;	A 80% B n/a

...Expand

1-Pentadecanol 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

Product Name

1-Pentadecanol

Synthetic route

1-Pentadecanol Specification

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