5-Undecanol - ≥95% , CAS No.37493-70-2

CAS: 37493-70-2 Cat. No.: U162924 분자식: C₁₁H₂₄O 분자량: 172.31 Beilstein Registry Number: 1(4)1839 PubChem CID: 98676

GRADE & PURITY ≥95%

Synonyms

n-Butyl n-hexyl carbinol | U0039 | 5-Undecanol | FT-0620786 | NSC 158512 | AI3-35683 | 5-hendecanol | butylhexylcarbinol | Undecan-5-ol | NSC158512 | NSC-158512 | MFCD00046719 | DTXSID50871383 | EINECS 253-529-6 | AKOS009157790 | SCHEMBL378689 | 1-butylhe

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

n-Butyl n-hexyl carbinol | U0039 | 5-Undecanol | FT-0620786 | NSC 158512 | AI3-35683 | 5-hendecanol | butylhexylcarbinol | Undecan-5-ol | NSC158512 | NSC-158512 | MFCD00046719 | DTXSID50871383 | EINECS 253-529-6 | AKOS009157790 | SCHEMBL378689 | 1-butylhe

사양 및 순도

≥95%

보관 조건

Room temperature

배송

Normal

순수함

≥95%

이름과 식별자

• Pubchem Sid: 504756413
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756413
• 정식 스마일: CCCCCCC(CCCC)O
• IUPAC Name: undecan-5-ol
• InChIKey: PCFOZHPCKQPZCN-UHFFFAOYSA-N
• INCHI: 1S/C11H24O/c1-3-5-7-8-10-11(12)9-6-4-2/h11-12H,3-10H2,1-2H3
• 이성체 SMILES: CCCCCCC(CCCC)O
• PubChem CID: 98676
• 분자량: 172.31
• Beilstein: 1(4)1839
• Reaxy-Rn: 1698382

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: 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
• 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

• 발화점(°C): 94 °C
• 끓는점(°C): 140°C/17mmHg(lit.)
• 분자량: 172.310 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 8
• Exact Mass: 172.183 Da
• Monoisotopic Mass: 172.183 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 81.100
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1