(3E)-dec-3-en-2-one

• ChemBase ID: 148798
• Molecular Formular: C10H18O
• Molecular Mass: 154.24932
• Monoisotopic Mass: 154.1357652
• SMILES: CCCCCC/C=C/C(=O)C
• Canonical SMILES: CCCCCC/C=C/C(=O)C
• InChI: InChI=1S/C10H18O/c1-3-4-5-6-7-8-9-10(2)11/h8-9H,3-7H2,1-2H3
• InChIKey: JRPDANVNRUIUAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3E)-dec-3-en-2-one; dec-3-en-2-one
• IUPAC Traditional name: (3E)-dec-3-en-2-one; dec-3-en-2-one
• Synonyms: 3-Decen-2-one; 3-癸烯-2-酮

Database IDs

• CAS Number: 10519-33-2
• EC Number: 234-059-0
• MDL Number: MFCD00015700
• PubChem SID: 162242972; 24901766
• PubChem CID: 5363233
• FEMA ID: 3532
• Council of Europe Number: 11751
• Flavis Number: 7.121

CALCULATED PROPERTIES

• Molar Refractivity: 49.521 cm^3
• Polarizability: 18.9974 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 19.851284
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.4720511
• LogD (pH = 7.4): 3.4720511
• Log P: 3.4720511

PROPERTIES

Physical Property

• Boiling Point: 125 °C/12 mmHg(lit.)
• Flash Point: 197.6 °F; 92 °C
• Density: 0.84; 0.847 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.45(lit.)
• Organoleptic: jasmine; citrus; fatty; pear; waxy; green; vegetable; meaty; earthy

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36-52
• Safety Statements: 26
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H227; H319
• GHS Precautionary statements: P210-P280-P370+P378A-P403+P235-P501A; P305 + P351 + P338

Pharmacology Properties

• Allergens: no known allergens

Product Information

• Purity: ≥97%; 97%
• Grade: Halal; Kosher; NI
• Contains: 0.10% alpha-tocopherol, synthetic as antioxidant
• Linear Formula: CH3(CH2)5CH=CHCOCH3

DETAILS

Sigma Aldrich - W353205

Application
Possible application (Flavor): 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.
Biochem/physiol Actions
Taste at 1 to 5 ppm
Other Notes
Natural occurrence: Mushrooms.
Packaging
1 kg in glass bottle
1 sample in glass bottle
100 g in glass bottle
4 kg in poly drum