(2R,4R)-(-)-2,4-Pentanediol - ≥98%(GC) , CAS No.42075-32-1

CAS: 42075-32-1 Cat. No.: R160958 Formula: C₅H₁₂O₂ Peso molecolare: 104.15 Numero EC: 962-511-3 PubChem CID: 2723683

QUALITÀ & PUREZZA ≥98%(GC)

Synonyms

2,4-PENTANEDIOL, (R-(R*,R*))- | (R*,R*)-2,4-PENTANEDIOL | SCHEMBL42294 | 2,4-PENTANEDIOL, (R*,R*)- | MFCD00063893 | UNII-EX4IXW1090 | (+/-)-2,4-PENTANEDIOL | 2,4-PENTANEDIOL, (2R,4R)-REL- | DTXSID401310414 | (R,R)-(?)-2,4-Pentanediol | (2R,4R)-(-)-2,4-Pen

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifiche

Sinonimi

2,4-PENTANEDIOL, (R-(R*,R*))- | (R*,R*)-2,4-PENTANEDIOL | SCHEMBL42294 | 2,4-PENTANEDIOL, (R*,R*)- | MFCD00063893 | UNII-EX4IXW1090 | (+/-)-2,4-PENTANEDIOL | 2,4-PENTANEDIOL, (2R,4R)-REL- | DTXSID401310414 | (R,R)-(?)-2,4-Pentanediol | (2R,4R)-(-)-2,4-Pen

Specifiche e purezza

≥98%(GC)

Condizioni di conservazione di stoccaggio

Argon charged,Room temperature

Spedito in

Normal

Purezza

≥98%(GC)

Nomi e identificatori

Pubchem Sid

504760795

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504760795

Sorrisi canonici

CC(CC(C)O)O

IUPAC Name

(2R,4R)-pentane-2,4-diol

InChIKey

GTCCGKPBSJZVRZ-RFZPGFLSSA-N

INCHI

1S/C5H12O2/c1-4(6)3-5(2)7/h4-7H,3H2,1-2H3/t4-,5-/m1/s1

Isomeri SMILES

C[C@H](C[C@@H](C)O)O

WGK Germania

3

PubChem CID

2723683

Peso molecolare

104.15

Reaxy-Rn

4290613

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: Secondary alcohols
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary alcohol - Hydrocarbon derivative - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,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: Solubility in EtOH almost transparency
• Sensibilità: Moisture sensitive
• Rotazione specifica [α]: -52.0 to -55.0 deg(C=10, EtOH)
• Punto di infiammabilità (°F): 213.8 °F
• Punto di infiammabilità (°C): 101 °C
• Punto di ebollizione (°C): 111-113 °C/19 mmHg
• Punto di fusione (°C): 44-50°C
• Peso molecolare: 104.150 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 104.084 Da
• Monoisotopic Mass: 104.084 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 39.300
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). 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 42075-32-1, the molecular formula is C5H12O2, and the molecular weight is 104.15 g/mol. InChIKey GTCCGKPBSJZVRZ-RFZPGFLSSA-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.