Isohexanol - ≥97%(GC) , CAS No.626-89-1

CAS: 626-89-1 Cat. No.: I136441 분자식: C₆H₁₄O 분자량: 102.18 Beilstein Registry Number: 1411 EC 번호: 210-969-3

등급 & 순도 ≥97%(GC)

Synonyms

Isohexyl alcohol | DTXSID0044313 | M0775 | UNII-X796XFP7D4 | SCHEMBL23739 | 4-METHYL-1-PENTANOL | HY-W007511 | Isohexanol | F20439 | A848895 | BCP06801 | MFCD00002962 | CAS-626-89-1 | EINECS 210-969-3 | FT-0612065 | SY016761 | 1-Pentanol, 4-methyl- | Tox2

Storage

Room temperature

Shipped In

Normal

개요

4-Methyl-1-pentanol may have antimicrobial effects.
May have antimicrobial effects

사양

동의어

Isohexyl alcohol | DTXSID0044313 | M0775 | UNII-X796XFP7D4 | SCHEMBL23739 | 4-METHYL-1-PENTANOL | HY-W007511 | Isohexanol | F20439 | A848895 | BCP06801 | MFCD00002962 | CAS-626-89-1 | EINECS 210-969-3 | FT-0612065 | SY016761 | 1-Pentanol, 4-methyl- | Tox2

사양 및 순도

≥97%(GC)

보관 조건

Room temperature

배송

Normal

순수함

≥97%(GC)

이름과 식별자

Pubchem Sid

504752298

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752298

정식 스마일

CC(C)CCCO

IUPAC Name

4-methylpentan-1-ol

InChIKey

PCWGTDULNUVNBN-UHFFFAOYSA-N

INCHI

1S/C6H14O/c1-6(2)4-3-5-7/h6-7H,3-5H2,1-2H3

이성체 SMILES

CC(C)CCCO

WGK 독일

3

RTECS

NR3020000

UN 번호

1987

포장 그룹

III

분자량

102.18

Beilstein

1411

Reaxy-Rn

1731303

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1731303&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: Primary alcohols
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Primary alcohol - Aliphatic acyclic compound
• 설명: 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: 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

작용 메커니즘

화학 및 물리적 특성

• 굴절률: 1.42
• 발화점(°F): 134.6 °F
• 발화점(°C): 57°C(lit.)
• 끓는점(°C): 160-165°C
• 분자량: 102.170 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 102.104 Da
• Monoisotopic Mass: 102.104 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 33.200
• 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