Nonanal - ≥96% , CAS No.124-19-6

CAS: 124-19-6 Cat. No.: N111142 Formula: C₉H₁₈O Molecular Weight: 142.24 Beilstein Registry Number: 1236701 EC Number: 204-688-5

GRADE & PURITY ≥96%

Synonyms

C9-11 Aldehydes | J-005053 | Aldehyde C9, Nonyl aldehyde, Pelargonaldehyde | NONYL ALDEHYDE,N- | EINECS 204-688-5 | SCHEMBL8876408 | N0296 | AMY15728 | BP-31179 | AI3-04859 | DTXCID801639 | NCGC00257442-01 | n-Nonanal | NONANAL | Aldehyde C-9 | EINECS 278

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

Nonanal is used for fragranced end-products.

Specifications

Synonyms

C9-11 Aldehydes | J-005053 | Aldehyde C9, Nonyl aldehyde, Pelargonaldehyde | NONYL ALDEHYDE,N- | EINECS 204-688-5 | SCHEMBL8876408 | N0296 | AMY15728 | BP-31179 | AI3-04859 | DTXCID801639 | NCGC00257442-01 | n-Nonanal | NONANAL | Aldehyde C-9 | EINECS 278

Specifications & Purity

≥96%

Biochemical and Physiological Mechanisms

Alkyl aldehyde component of essential oils with a strong fruity odor used in perfumery.

Storage

Room temperature,Argon charged

Shipped In

Normal

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥96%

Names and Identifiers

Pubchem Sid

508813803

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508813803

Canonical Smiles

CCCCCCCCC=O

IUPAC Name

nonanal

InChIKey

GYHFUZHODSMOHU-UHFFFAOYSA-N

INCHI

1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h9H,2-8H2,1H3

Isomeric SMILES

CCCCCCCCC=O

WGK Germany

3

RTECS

RA5700000

Molecular Weight

142.24

Beilstein

1236701

Reaxy-Rn

1236701

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1236701&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Aldehydes
          • Level6 Medium-chain aldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Aldehydes
• Direct Parent: Medium-chain aldehydes
• Alternative Parents: Alpha-hydrogen aldehydes Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Medium-chain aldehyde - Alpha-hydrogen aldehyde - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as medium-chain aldehydes. These are an aldehyde with a chain length containing between 6 and 12 carbon atoms.
• External Descriptors: an n-alkanal

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)

Bursaphelenchus xylophilus (372 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in alcohol and insoluble in water
• Sensitivity: Air sensitive
• x_refractive_index: 1.4276
• x_flash_point_drop_fahrenheit: 145°F
• x_flash_point_drop_centigrade: 63℃
• x_boil_point_char: 190-192°C
• Molecular Weight: 142.240 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 142.136 Da
• Monoisotopic Mass: 142.136 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 69.100
• 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