1-Hexadecanol - ≥99% , CAS No.36653-82-4

CAS: 36653-82-4 Cat. No.: H113020 Formula: C₁₆H₃₄O Molecular Weight: 242.44 EC Number: 253-149-0

GRADE & PURITY ≥99%

Synonyms

Cachalot C-52 | 4-01-00-01876 (Beilstein Handbook Reference) | Caswell No. 165D | Isocetyl alcohol | Normal primary hexadecyl alcohol | HSDB 2643 | 1-Hexanedecanol | Aldol 54 | BRN 1748475 | NCGC00159368-05 | Cetalol CA | Cetyl alchol | FEMA Number 2554 |

Storage

Room temperature

Shipped In

Normal

Overview

1-Hexadecanol is a free fatty acid alcohol generally used as an emulsifier, emollient, opacifier and surfactant in cosmetics formulations.

Specifications

Synonyms

Cachalot C-52 | 4-01-00-01876 (Beilstein Handbook Reference) | Caswell No. 165D | Isocetyl alcohol | Normal primary hexadecyl alcohol | HSDB 2643 | 1-Hexanedecanol | Aldol 54 | BRN 1748475 | NCGC00159368-05 | Cetalol CA | Cetyl alchol | FEMA Number 2554 |

Specifications & Purity

≥99%

Application

1-Hexadecanol can be used as a reactant in the synthesis of self-assembled m-diethynylbenzene macrocycles (DBMs), water-soluble pillar[6]arene for controllable drug release and poly(ethylene glycol)-based polymer for intracellular delivery of anticancer d

Storage

Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

Pubchem Sid

488179716

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488179716

Canonical Smiles

CCCCCCCCCCCCCCCCO

IUPAC Name

hexadecan-1-ol

InChIKey

BXWNKGSJHAJOGX-UHFFFAOYSA-N

INCHI

1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3

Isomeric SMILES

CCCCCCCCCCCCCCCCO

Molecular Weight

242.44

Reaxy-Rn

1748475

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1748475&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty alcohols

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty alcohols
• Intermediate Tree Nodes: Not available
• Direct Parent: Long-chain fatty alcohols
• Alternative Parents: Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Long chain fatty alcohol - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as long-chain fatty alcohols. These are fatty alcohols that have an aliphatic tail of 13 to 21 carbon atoms.
• External Descriptors: a small molecule

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

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LMNA Tbio Prelamin-A/C (36751 Activities)

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USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)

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MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)

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Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

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Staphylococcus aureus (210822 Activities)

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Mycobacterium tuberculosis (203094 Activities)

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Cutibacterium acnes (887 Activities)

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Aspergillus fumigatus (16427 Activities)

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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Colletotrichum gloeosporioides (560 Activities)

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Heterodera zeae (651 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in alcohol, chloroform, ether
• Sensitivity: Moisture sensitive.
• Refractive Index: 1.4283
• Flash Point(°C): 113°C
• Boil Point(°C): 344 ℃
• Melt Point(°C): 50 ℃
• Molecular Weight: 242.440 g/mol
• XLogP3: 7.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 14
• Exact Mass: 242.261 Da
• Monoisotopic Mass: 242.261 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 123.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 36653-82-4, the molecular formula is C16H34O, and the molecular weight is 242.44 g/mol. InChIKey BXWNKGSJHAJOGX-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.