3-Decen-2-one - ≥93%(GC) , CAS No.10519-33-2

CAS: 10519-33-2 Cat. No.: D154240 Molecular Weight: 154.25 Beilstein Registry Number: 1(4)3512 EC Number: 234-059-0

GRADE & PURITY ≥93%(GC)

Synonyms

(3E)-3-Decen-2-one | D1933 | Oenanthylidene acetone | Trans-3-decen-2-one | Z22804BQXD | A905941 | NSC-6548 | (3E)-Dec-3-en-2-one | 3-Decen-2-one | Enanthylidene acetone | trans-Decen-2-al | dec-3-en-2-one | SCHEMBL120780 | 3-Decen-2-one, (E)- | Heptylide

Storage

Room temperature

Shipped In

Normal

Overview

Possible applications: Apricot, peach, watermelon, pear, cucumber, and tropical fruits, dairy flavors such as milks creams and cheeses. Fatty notes in chicken, fat replacers and lard. Used in mandarin, tangerine, grapefruit and other citrus flavors.3-Decen-2-one occurs naturally in certain species of mushroom.

Specifications

Synonyms

(3E)-3-Decen-2-one | D1933 | Oenanthylidene acetone | Trans-3-decen-2-one | Z22804BQXD | A905941 | NSC-6548 | (3E)-Dec-3-en-2-one | 3-Decen-2-one | Enanthylidene acetone | trans-Decen-2-al | dec-3-en-2-one | SCHEMBL120780 | 3-Decen-2-one, (E)- | Heptylide

Specifications & Purity

≥93%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥93%(GC)

Names and Identifiers

• Pubchem Sid: 488195432
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195432
• Canonical Smiles: CCCCCCC=CC(=O)C
• IUPAC Name: (E)-dec-3-en-2-one
• InChIKey: JRPDANVNRUIUAB-CMDGGOBGSA-N
• INCHI: 1S/C10H18O/c1-3-4-5-6-7-8-9-10(2)11/h8-9H,3-7H2,1-2H3/b9-8+
• Isomeric SMILES: CCCCCC/C=C/C(=O)C
• Molecular Weight: 154.25
• Beilstein: 1(4)3512
• Reaxy-Rn: 1721126
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1721126&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Alpha,beta-unsaturated carbonyl compounds
          • Level6 Alpha,beta-unsaturated ketones
            • Level7 Enones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Alpha,beta-unsaturated carbonyl compounds - Alpha,beta-unsaturated ketones
• Direct Parent: Enones
• Alternative Parents: Acryloyl compounds Ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Enone - Acryloyl-group - Ketone - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as enones. These are compounds containing the enone functional group, with the structure RC(=O)CR'.
• 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

Associated Targets(Human)

WiDr (1835 Activities)

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A2780 (11979 Activities)

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SW1573 (1008 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Refractive Index: 1.4500 to 1.4520
• Flash Point(°F): 92°C
• Flash Point(°C): 92°C
• Boil Point(°C): 109°C/20mmHg(lit.)
• Molecular Weight: 154.250 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 154.136 Da
• Monoisotopic Mass: 154.136 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 125.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1