(S)-(+)-2-Pentanol - ≥98%(GC) , CAS No.26184-62-3

CAS: 26184-62-3 Cat. No.: S138580 분자식: CH₃CH₂CH₂CH(OH)CH₃ 분자량: 88.15 Beilstein Registry Number: 1718820 EC 번호: 700-266-4

GRADE & PURITY ≥98%(GC)

Synonyms

(S)-(+)-2-Pentanol | (s)(+)-2-pentanol | BDBM36158 | (S)-pentan-2-ol | s-2-pentanol | (s)-(-)-2-pentanol | EN300-253342 | AKOS015840326 | (S)-(+)-2-Pentanol, 98% | (2S)-2-pentanol | (S)-(+)-2-Pentanol, ChiPros(R), produced by BASF, 98% | A5193 | P0743 | T

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

(S)-(+)-2-Pentanol | (s)(+)-2-pentanol | BDBM36158 | (S)-pentan-2-ol | s-2-pentanol | (s)-(-)-2-pentanol | EN300-253342 | AKOS015840326 | (S)-(+)-2-Pentanol, 98% | (2S)-2-pentanol | (S)-(+)-2-Pentanol, ChiPros(R), produced by BASF, 98% | A5193 | P0743 | T

사양 및 순도

≥98%(GC)

보관 조건

Room temperature

배송

Normal

순수함

≥98%(GC)

이름과 식별자

• Pubchem Sid: 508806736
• 정식 스마일: CCCC(C)O
• IUPAC Name: (2S)-pentan-2-ol
• InChIKey: JYVLIDXNZAXMDK-YFKPBYRVSA-N
• INCHI: 1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3/t5-/m0/s1
• 이성체 SMILES: CCC[C@H](C)O
• WGK 독일: 2
• RTECS: SA4900000
• UN 번호: 1105
• 포장 그룹: III
• 분자량: 88.15
• Beilstein: 1718820
• Reaxy-Rn: 1718819
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1718819&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 발화점(°F): 93.2 °F
• 발화점(°C): 34 °C
• 끓는점(°C): 118-119 °C
• 분자량: 88.150 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 88.0888 Da
• Monoisotopic Mass: 88.0888 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 27.100
• 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