Melissic acid - ≥98% , CAS No.506-50-3

CAS: 506-50-3 Cat. No.: M464883 Formule: C₃₀H₆₀O₂ Poids moléculaire: 452.8 Beilstein Registry Number: 2396 Numéro CE: 208-042-3

GRADE & PURITY ≥98%

Synonyms

EINECS 208-042-3 | triacontoic acid | FA 30:0 | 1-Triacontanoic acid | FT-0628192 | myricic acid | SCHEMBL133806 | HLT2OTQ105 | TRIACONTANOICACID | n-Triacontanoic acid | TRIACONTANOIC ACID | C30:0 | NSC53832 | NSC-53832 | CHEBI:31003 | Melissic acid, >=9

Storage

Room temperature

Vue d’ensemble

Melissic acid is isolated from the pericarp ofTrichosanthes rosthornii.Melissic acid was used in a study on identification and determination of very-long-chain polyunsaturated fatty acid in freshwater crustacean speciesBathynella natans.

Specifications

Synonymes

EINECS 208-042-3 | triacontoic acid | FA 30:0 | 1-Triacontanoic acid | FT-0628192 | myricic acid | SCHEMBL133806 | HLT2OTQ105 | TRIACONTANOICACID | n-Triacontanoic acid | TRIACONTANOIC ACID | C30:0 | NSC53832 | NSC-53832 | CHEBI:31003 | Melissic acid, >=9

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Pureté

≥98%

Noms et identifiants

Sourires canoniques

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O

IUPAC Name

triacontanoic acid

InChIKey

VHOCUJPBKOZGJD-UHFFFAOYSA-N

INCHI

1S/C30H60O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30(31)32/h2-29H2,1H3,(H,31,32)

Isomères SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O

Poids moléculaire

452.8

Beilstein

2396

Reaxy-Rn

1803689

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1803689&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Very 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: Very 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
• Description: This compound belongs to the class of organic compounds known as very long-chain fatty acids. These are fatty acids with an aliphatic tail that contains at least 22 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

Propriétés chimiques et physiques

• Solubilité: chloroform: soluble 25mg/mL, clear, colorless to faintly yellow
• Point de fusion (°C): 92-94°C
• Poids moléculaire: 452.800 g/mol
• XLogP3: 13.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 28
• Exact Mass: 452.459 Da
• Monoisotopic Mass: 452.459 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 353.000
• 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

Foire aux questions

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

The CAS Number is 506-50-3, the molecular formula is C30H60O2, and the molecular weight is 452.8 g/mol. InChIKey VHOCUJPBKOZGJD-UHFFFAOYSA-N.