5-Hexyn-1-ol - ≥96% , CAS No.928-90-5

CAS: 928-90-5 Cat. No.: H107735 분자식: C₆H₁₀O 분자량: 98.14 Beilstein Registry Number: 1739774 EC 번호: 618-884-7

GRADE & PURITY ≥96%

Synonyms

FT-0620451 | InChI=1/C6H10O/c1-2-3-4-5-6-7/h1,7H,3-6H | hex-5-ynol | 1-Hydroxy-5-hexyne;5-hexyn-1-0l;6-Hydroxy-1-hexyne | 1-Hydroxy-5-hexyne | 6-Hydroxy-1-hexyne | SY020332 | AI3-37259 | AKOS009157861 | BBL102175 | STL555974 | H0687 | 5-Hexyne-1-ol | 5-he

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

동의어

FT-0620451 | InChI=1/C6H10O/c1-2-3-4-5-6-7/h1,7H,3-6H | hex-5-ynol | 1-Hydroxy-5-hexyne;5-hexyn-1-0l;6-Hydroxy-1-hexyne | 1-Hydroxy-5-hexyne | 6-Hydroxy-1-hexyne | SY020332 | AI3-37259 | AKOS009157861 | BBL102175 | STL555974 | H0687 | 5-Hexyne-1-ol | 5-he

사양 및 순도

≥96%

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

순수함

≥96%

이름과 식별자

Pubchem Sid

508809847

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508809847

정식 스마일

C#CCCCCO

IUPAC Name

hex-5-yn-1-ol

InChIKey

GOQJMMHTSOQIEI-UHFFFAOYSA-N

INCHI

1S/C6H10O/c1-2-3-4-5-6-7/h1,7H,3-6H2

이성체 SMILES

C#CCCCCO

WGK 독일

3

분자량

98.14

Beilstein

1739774

Reaxy-Rn

1739774

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1739774&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: Fatty Acyls
• Subclass: Fatty alcohols
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty alcohols
• Alternative Parents: Acetylides Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty alcohol - Acetylide - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• 설명: 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: 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

• 감도: air & heat & Moisture sensitive
• 굴절률: 1.45
• 발화점(°F): 158 °F
• 발화점(°C): 70 °C
• 끓는점(°C): 73-75°C
• 분자량: 98.140 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 98.0732 Da
• Monoisotopic Mass: 98.0732 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 67.500
• 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