Palmitic acid - Stearic acid ≤ 0.5% , CAS No.57-10-3

CAS: 57-10-3 Cat. No.: P753896 분자식: C₁₆H₃₂O₂ 분자량: 256.42 Beilstein Registry Number: 607489 EC 번호: 200-312-9

등급 & 순도 Stearic acid ≤ 0.5%

Synonyms

Hexadecanoic acid|1-Pentadecanecarboxylic acid|C16:0|Cetylic acid|NSC 5030 PamOH

Storage

Room temperature

Shipped In

Normal

사양

동의어

Hexadecanoic acid | 1-Pentadecanecarboxylic acid | C16:0 | Cetylic acid | NSC 5030 PamOH

사양 및 순도

Stearic acid ≤ 0.5%

보관 조건

Room temperature

배송

Normal

이름과 식별자

정식 스마일

CCCCCCCCCCCCCCCC(=O)O

IUPAC Name

hexadecanoic acid

InChIKey

IPCSVZSSVZVIGE-UHFFFAOYSA-N

INCHI

1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)

이성체 SMILES

CCCCCCCCCCCCCCCC(=O)O

WGK 독일

3

RTECS

RT4550000

대체 CAS

57-10-3

NSC 번호

5030

MeSH 용어

Acid, Hexadecanoic;Acid, Palmitic;Calcium Palmitate;Hexadecanoic Acid;Palmitate, Calcium;Palmitate, Sodium;Palmitic Acid;Sodium Palmitate

분자량

256.42

Beilstein

607489

Reaxy-Rn

607489

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=607489&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 분류 Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Long-chain fatty acids
• Alternative Parents: Straight chain fatty acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Long-chain fatty acid - Straight chain fatty acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms.
• External Descriptors: Straight chain fatty acids

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

관련 대상(인간)

FFAR1 Tchem Free fatty acid receptor 1 (0 Activities)

Discover Target: FFAR1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

화학 및 물리적 특성

• 용해성: Insoluble in water, slightly soluble in petroleum ether, soluble in ethanol, easily soluble in ether, chloroform, and glacial acetic acid.
• 감도: Moisture sensitive.
• 굴절률: 1.4273
• 발화점(°F): 235.4 °F
• 발화점(°C): 113℃
• 끓는점(°C): 271.5°C
• 녹는점(°C): 62°C
• 분자량: 256.420 g/mol
• XLogP3: 6.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 14
• Exact Mass: 256.24 Da
• Monoisotopic Mass: 256.24 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 178.000
• 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