Trihexyl Phosphite - ≥95%(GC) , CAS No.6095-42-7

CAS: 6095-42-7 Cat. No.: T161992 Molecular Weight: 334.48 PubChem CID: 80190

GRADE & PURITY ≥95%(GC)

Synonyms

MFCD00015282 | P1260 | NSC 5638 | NSC5638 | NSC-5638 | Hexyl phosphite ((C6H13O)3P) | Phosphorous Acid Trihexyl Ester | Hexyl phosphite, (C6H13O)3P | Phosphorous acid, trihexyl ester | 89EMA7PV5N | Phosphorous acid tri-n-hexyl ester | Trihexyl phosphite |

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

MFCD00015282 | P1260 | NSC 5638 | NSC5638 | NSC-5638 | Hexyl phosphite ((C6H13O)3P) | Phosphorous Acid Trihexyl Ester | Hexyl phosphite, (C6H13O)3P | Phosphorous acid, trihexyl ester | 89EMA7PV5N | Phosphorous acid tri-n-hexyl ester | Trihexyl phosphite |

Specifications & Purity

≥95%(GC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥95%(GC)

Names and Identifiers

• Pubchem Sid: 488185826
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185826
• Canonical Smiles: CCCCCCOP(OCCCCCC)OCCCCCC
• IUPAC Name: trihexyl phosphite
• InChIKey: DSKYTPNZLCVELA-UHFFFAOYSA-N
• INCHI: 1S/C18H39O3P/c1-4-7-10-13-16-19-22(20-17-14-11-8-5-2)21-18-15-12-9-6-3/h4-18H2,1-3H3
• Isomeric SMILES: CCCCCCOP(OCCCCCC)OCCCCCC
• PubChem CID: 80190
• Molecular Weight: 334.48
• Reaxy-Rn: 1708688

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organophosphorus compounds
    • Class Trialkylphosphites

• Kingdom: Organic compounds
• Superclass: Organophosphorus compounds
• Class: Trialkylphosphites
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Trialkylphosphites
• Alternative Parents: Organic phosphites Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Trialkylphosphite - Organic phosphite - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as trialkylphosphites. These are organic compounds containing a phosphorous acid, which is tri-esterified with alkyl groups.
• 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

Chemical and Physical Properties

• Sensitivity: light sensitive ;air sensitive ；Moisture sensitive；
• Refractive Index: 1.44
• Flash Point(°C): 182 °C
• Boil Point(°C): 158°C/2mmHg(lit.)
• Molecular Weight: 334.500 g/mol
• XLogP3: 7.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 18
• Exact Mass: 334.264 Da
• Monoisotopic Mass: 334.264 Da
• Topological Polar Surface Area: 27.700 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 169.000
• 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

References

1. Pan Xiao, Jingjing Xiao, Zhihong Xiao, Rukuan Liu, Zhiyong Zhang, Chuansheng Chen, Changzhu Li.  (2024)  A new surfactant dihexyl (2-amino-2-(hydroxyimino)ethyl) phosphonate as a collector to flotation separation of wolframite against quartz.  APPLIED SURFACE SCIENCE,      [PMID:] [10.1016/j.apsusc.2024.161799]