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

CAS: 77-85-0 Cat. No.: T104516 Formula: C₅H₁₂O₃ Peso molecolare: 120.15 Beilstein Registry Number: 1304452 Numero EC: 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

Sinonimi

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

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Argon charged,Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

488180080

Pubchem Sid Url

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

Sorrisi canonici

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

Isomeri SMILES

CC(CO)(CO)CO

WGK Germania

3

RTECS

TY7137500

PubChem CID

6502

Peso molecolare

120.15

Beilstein

1304452

Reaxy-Rn

1304452

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: Soluble in water.
• Sensibilità: Moisture sensitive
• Punto di infiammabilità (°F): 320 °F
• Punto di infiammabilità (°C): 160℃
• Punto di ebollizione (°C): 137 °C/15 mmHg
• Punto di fusione (°C): 193-195°C
• Peso molecolare: 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

Domande frequenti

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.