(S)-(+)-2-Heptanol - ≥98% , CAS No.6033-23-4

CAS: 6033-23-4 Cat. No.: I137289 Summenformel: CH₃(CH₂)₄CH(OH)CH₃ Molekulargewicht: 116.2 EG-Nummer: 624-220-7

GRADE & PURITY ≥98%

Synonyms

(2S)-2-heptanol | EN300-1855405 | Q27159571 | (2S)-heptan-2-ol | 2-Heptanol # | 2-Heptanol, (2S)- | D-AMYLMETHYLCARBINOL | Heptan-2S-ol | 2-Heptanol, (+)- | d-2-Heptanol | SCHEMBL1876506 | (S)-(+)-Heptanol | BDBM36163 | (S)-Heptan-2-ol | 2-Heptanol, (S)-

Storage

Room temperature

Shipped In

Normal

Übersicht

application：

(S)-(+)-2-Heptanol is used as pharmaceutical intermediate.

(S)-(+)-2-Heptanol can be used as a starting material to synthesize:

(S)-(+)-2-benzoyloxyheptane by treating with benzoyl anhydride and Et3N in the presence of DMAP.       

(S)-2-(p-toluenesulfonyl)heptane by reacting with p-toluenesulfonyl chloride.      

(+)-2-Heptyl acetate by treating with acetyl chloride.

Specifications

Synonyme

(2S)-2-heptanol | EN300-1855405 | Q27159571 | (2S)-heptan-2-ol | 2-Heptanol # | 2-Heptanol, (2S)- | D-AMYLMETHYLCARBINOL | Heptan-2S-ol | 2-Heptanol, (+)- | d-2-Heptanol | SCHEMBL1876506 | (S)-(+)-Heptanol | BDBM36163 | (S)-Heptan-2-ol | 2-Heptanol, (S)-

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488192316

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488192316

Kanonisches Lächeln

CCCCCC(C)O

IUPAC Name

(2S)-heptan-2-ol

InChIKey

CETWDUZRCINIHU-ZETCQYMHSA-N

INCHI

1S/C7H16O/c1-3-4-5-6-7(2)8/h7-8H,3-6H2,1-2H3/t7-/m0/s1

Isomere SMILES

CCCCC[C@H](C)O

WGK Deutschland

3

Molekulargewicht

116.2

Reaxy-Rn

1719088

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1719088&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Klasse Fatty Acyls
      • Subclass Fatty alcohols

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: Fatty Acyls
• Subclass: Fatty alcohols
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty alcohols
• Alternative Parents: Secondary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty alcohol - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms.
• External Descriptors: Fatty alcohols

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(3569 mg/L at 25°C).
• Flammpunkt (°F): 147.2 °F
• Flammpunkt (°C): 64 °C
• Molekulargewicht: 116.200 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 116.12 Da
• Monoisotopic Mass: 116.12 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 43.700
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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 ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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 6033-23-4, the molecular formula is C7H16O, and the molecular weight is 116.2 g/mol. InChIKey CETWDUZRCINIHU-ZETCQYMHSA-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.