Monononyl Phthalate - ≥98% , CAS No.24539-59-1

CAS: 24539-59-1 Cat. No.: M333033 Formule: C₁₇H₂₄O₄ Poids moléculaire: 292.37

QUALITÉ & PURETÉ ≥98%

Synonyms

monononyl phthalate | 1,2-Benzenedicarboxylic acid, monononyl ester | DTXSID20179282 | 2-[(NONYLOXY)CARBONYL]BENZOIC ACID | EINECS 246-303-3 | SCHEMBL303993 | 2-nonoxycarbonylbenzoic acid | LNKHFECVVLVFFE-UHFFFAOYSA-N | Nonyl hydrogen phthalate | AKOS0302

Storage

Store at 2-8°C

Shipped In

Wet ice

Spécifications

Synonymes

monononyl phthalate | 1,2-Benzenedicarboxylic acid, monononyl ester | DTXSID20179282 | 2-[(NONYLOXY)CARBONYL]BENZOIC ACID | EINECS 246-303-3 | SCHEMBL303993 | 2-nonoxycarbonylbenzoic acid | LNKHFECVVLVFFE-UHFFFAOYSA-N | Nonyl hydrogen phthalate | AKOS0302

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

Pubchem Sid

528775907

Sourires canoniques

CCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)O

IUPAC Name

2-nonoxycarbonylbenzoic acid

InChIKey

LNKHFECVVLVFFE-UHFFFAOYSA-N

INCHI

1S/C17H24O4/c1-2-3-4-5-6-7-10-13-21-17(20)15-12-9-8-11-14(15)16(18)19/h8-9,11-12H,2-7,10,13H2,1H3,(H,18,19)

Isomères SMILES

CCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)O

Poids moléculaire

292.37

Reaxy-Rn

3342209

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3342209&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acid esters
• Alternative Parents: Benzoic acids Benzoyl derivatives Dicarboxylic acids and derivatives Carboxylic acid esters Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoate ester - Benzoic acid - Benzoyl - Dicarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
• External Descriptors: Not available

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 (Slightly), DMSO (Slightly),Methanol (Slightly)
• Point de fusion (°C): 43 - 45°C
• Poids moléculaire: 292.400 g/mol
• XLogP3: 5.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 11
• Exact Mass: 292.167 Da
• Monoisotopic Mass: 292.167 Da
• Topological Polar Surface Area: 63.600 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 314.000
• 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