1,1,1-Tris(hydroxymethyl)ethane - ≥97% , CAS No.77-85-0

CAS: 77-85-0 Cat. No.: T104516 Summenformel: C₅H₁₂O₃ Molekulargewicht: 120.15 Beilstein Registry Number: 1304452 EG-Nummer: 201-063-9 PubChem CID: 6502

GRADE & PURITY ≥97%

Synonyms

2-Hydroxymethyl-2-methyl-1,3-propanediol | Trimethylolethane | Pentaglycerol

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyme

2-Hydroxymethyl-2-methyl-1,3-propanediol | Trimethylolethane | Pentaglycerol

Spezifikationen & Reinheit

≥97%

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

488180080

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180080

Kanonisches Lächeln

CC(CO)(CO)CO

IUPAC Name

2-(hydroxymethyl)-2-methylpropane-1,3-diol

InChIKey

QXJQHYBHAIHNGG-UHFFFAOYSA-N

INCHI

1S/C5H12O3/c1-5(2-6,3-7)4-8/h6-8H,2-4H2,1H3

Isomere SMILES

CC(CO)(CO)CO

WGK Deutschland

3

RTECS

TY7137500

PubChem CID

6502

Molekulargewicht

120.15

Beilstein

1304452

Reaxy-Rn

1304452

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Primary alcohols
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Primary alcohol - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as primary alcohols. These are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl).
• 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in water.
• Empfindlichkeit: Moisture sensitive
• Flammpunkt (°F): 320 °F
• Flammpunkt (°C): 160℃
• Siedepunkt (°C): 137 °C/15 mmHg
• Schmelzpunkt (°C): 193-195°C
• Molekulargewicht: 120.150 g/mol
• XLogP3: -1.200
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 120.079 Da
• Monoisotopic Mass: 120.079 Da
• Topological Polar Surface Area: 60.700 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 50.400
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 77-85-0, the molecular formula is C5H12O3, and the molecular weight is 120.15 g/mol. InChIKey QXJQHYBHAIHNGG-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.