1-Pentadecanol

Base Information

• Chemical Name: 1-Pentadecanol
• CAS No.: 629-76-5
• Deprecated CAS: 39387-31-0,39433-03-9,39457-30-2,60650-33-1,63393-83-9
• Molecular Formula: C15H32O
• Molecular Weight: 228.418
• European Community (EC) Number: 211-107-9
• NSC Number: 66446
• UNII: 333QVA4G2Q
• DSSTox Substance ID: DTXSID0027270
• Nikkaji Number: J45.981J
• Wikipedia: 1-Pentadecanol
• Wikidata: Q27146999
• Metabolomics Workbench ID: 3284
• ChEMBL ID: CHEMBL26561
• Mol file: 629-76-5.mol

Synonyms:1-PENTADECANOL;pentadecan-1-ol;629-76-5;Pentadecyl alcohol;Pentadecanol;n-Pentadecanol;n-1-Pentadecanol;Neodol 5;Alfol 15;MFCD00004759;31389-11-4;UNII-333QVA4G2Q;333QVA4G2Q;67762-25-8;DTXSID0027270;CHEBI:77468;C15H32O;EINECS 211-107-9;NSC 66446;NSC-66446;AI3-33881;n-pentadecyl alcohol;DTXCID207270;CAS-629-76-5;n-pPentadecanol;Pentadecanol-(1);Pentadecan- 1- ol;Pentadecanol (6CI);PDC (CHRIS Code);1-Pentadecanol, 99%;SCHEMBL29548;CHEMBL26561;AMY5936;PENTADECYL ALCOHOL [INCI];1-pentadecanol (ACD/Name 4.0);NSC66446;EINECS 267-006-5;Tox21_201699;Tox21_300553;LMFA05000194;STL453722;AKOS009031435;CS-W004295;HY-W004295;Pentadecanol,95%;n-Pentadecyl alcohol;NCGC00164169-01;NCGC00164169-02;NCGC00164169-03;NCGC00254478-01;NCGC00259248-01;BP-30139;SY049687;FT-0608196;P0036;EN300-20042;H10901;A868289;Q27146999;F0001-1704;1991DA79-7140-48B0-9F03-1E3D88AC4F28

Chemical Property of 1-Pentadecanol

Chemical Property:

• Appearance/Colour: white solid
• Melting Point: 41-44 °C(lit. )
• Refractive Index: 1.4507 (589.3 nm 0℃)
• Boiling Point: 298.5 °C at 760 mmHg
• Flash Point: 130.1 °C
• PSA: 20.23000
• Density: 0.834 g/cm³
• LogP: 5.06990
• XLogP3: 6.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 13
• Exact Mass: 228.245315640
• Heavy Atom Count: 16
• Complexity: 112

Purity/Quality:

98%, ^*data from raw suppliers

Safty Information:

• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Alcohols and Polyols, Other
• Canonical SMILES: CCCCCCCCCCCCCCCO
• General Description: 1-Pentadecanol, also known as pentadecanol, Alfol 15, or NSC 66446, is a long-chain fatty alcohol with the molecular formula C15H32O. It is commonly used as an internal standard in photochemical experiments due to its stability and predictable behavior under irradiation conditions. The compound serves as a reference material to ensure consistency and accuracy in studies involving photoreactivity, such as those investigating vinyl halides or other light-sensitive reactions. Its non-reactive nature under typical photochemical conditions makes it a reliable tool for calibration and comparative analysis in experimental setups.

Technology Process of 1-Pentadecanol

There total 64 articles about 1-Pentadecanol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.0%

palmitic acid (1002-84-2) → pentadecane (629-62-9) + pentadecanol (629-76-5)

Guidance literature:

With hydrogen; Rh/Al₂O₃; molybdenum hexacarbonyl; In 1,2-dimethoxyethane; at 150 ℃; for 16h; under 76000 Torr;

DOI:10.1016/0040-4039(94)02453-I

Reference yield: 98.0%

palmitic acid (1002-84-2) → pentadecanol (629-76-5)

Guidance literature:

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

DOI:10.1016/0040-4039(94)02453-I

Reference yield: 96.0%

pentadec-14-en-1-ol (16346-16-0) → pentadecanol (629-76-5)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethyl acetate; for 6h; under 760.051 Torr;

DOI:10.1016/j.tetlet.2009.10.071

upstream raw materials:

formaldehyd

tetradecylmagnesium bromide

pentadeca-2,4-dienal

pentadecyl bromide

Downstream raw materials:

phthalic acid monopentadecyl ester

Pentadecyl formate

Sebacinsaeure-dipentadecylester

(4-phenylazo-phenyl)-carbamic acid pentadecyl ester

Refernces

Electronic and Conformational Effects in the Photochemistry of α-Alkenyl-Substituted Vinyl Halides

10.1021/jo00105a035

The research investigates the photochemical reactions of a series of vinyl halides, specifically 2-halo-l-phenyl-l,3-butadienes and l-halo-l,2-diphenylethenes, with the halogens being either chlorine or bromine. The study aims to understand the effects of electronic and conformational factors on the photoreactivity of these compounds, focusing on the formation of vinyl cations as reactive intermediates. The researchers used methanol as the solvent and employed high-pressure mercury arc light sources for irradiation at specific wavelengths (313 nm and 254 nm). The key findings include the observation of various photochemical reactions such as E/Z isomerization, dehydrohalogenation, nucleophilic substitution, [1,3]-halogen shift, [1,3]-hydrogen shift, and oxidation, with efficiencies dependent on the halogen used, the electron-donating capacity of the substituent, the ground state conformation, and the wavelength of excitation. 1-Pentadecanol is an internal standard for photochemical experiments. The study concludes that vinyl cations play a crucial role in the photoreactivity of these compounds, and their formation and subsequent reactions are influenced by both electronic and conformational factors. The results provide valuable insights into the photobehavior of vinyl halides and contribute to the understanding of the mechanisms involved in their photochemical transformations.