2-Nonanol - ≥95% , CAS No.628-99-9

CAS: 628-99-9 Cat. No.: N298586 Formula: C₉H₂₀O Molecular Weight: 144.26 Beilstein Registry Number: 1719470 EC Number: 211-065-1

GRADE & PURITY ≥95%

Synonyms

(+/-)-2-NONANOL | 2-Nonanol, >=97% | Methyl heptyl carbinol | Nonanol-(2) | 292T5234DX | A868320 | FT-0771718 | Methylheptylcarbinol | 1-Methyl-1-octanol | 2-hydroxynonane | Heptylmethylcarbinol | NSC 9481 | 2-NONANOL [FHFI] | DTXSID60862323 | 2-NONANOL |

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

(+/-)-2-NONANOL | 2-Nonanol, >=97% | Methyl heptyl carbinol | Nonanol-(2) | 292T5234DX | A868320 | FT-0771718 | Methylheptylcarbinol | 1-Methyl-1-octanol | 2-hydroxynonane | Heptylmethylcarbinol | NSC 9481 | 2-NONANOL [FHFI] | DTXSID60862323 | 2-NONANOL |

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

Pubchem Sid

504752314

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752314

Canonical Smiles

CCCCCCCC(C)O

IUPAC Name

nonan-2-ol

InChIKey

NGDNVOAEIVQRFH-UHFFFAOYSA-N

INCHI

1S/C9H20O/c1-3-4-5-6-7-8-9(2)10/h9-10H,3-8H2,1-2H3

Isomeric SMILES

CCCCCCCC(C)O

WGK Germany

3

Alternate CAS

628-99-9

Molecular Weight

144.26

Beilstein

1719470

Reaxy-Rn

1719466

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1719466&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: 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
• Description: 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: secondary alcohol

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

Associated Targets(non-human)

Cutibacterium acnes (887 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meloidogyne incognita (862 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• x_refractive_index: 1.43
• x_flash_point_drop_fahrenheit: 204.8 °F
• x_flash_point_drop_centigrade: 82°C(lit.)
• x_boil_point_char: 198°C
• x_melt_point_char: -35℃
• Molecular Weight: 144.250 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 144.151 Da
• Monoisotopic Mass: 144.151 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 61.700
• 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

Frequently Asked Questions

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