(2E,4E)-nona-2,4-dienal

• ChemBase ID: 149085
• Molecular Formular: C9H14O
• Molecular Mass: 138.20686
• Monoisotopic Mass: 138.10446507
• SMILES: CCCC/C=C/C=C/C=O
• Canonical SMILES: CCCC/C=C/C=C/C=O
• InChI: InChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h5-9H,2-4H2,1H3/b6-5+,8-7+
• InChIKey: ZHHYXNZJDGDGPJ-BSWSSELBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2E,4E)-nona-2,4-dienal
• IUPAC Traditional name: (2E,4E)-nona-2,4-dienal
• Synonyms: trans,trans-2,4-Nonadienal; 反,反-2,4-壬二烯醛

Database IDs

• CAS Number: 5910-87-2
• EC Number: 227-629-5
• MDL Number: MFCD00007006
• PubChem SID: 24850876; 162243253; 24901556
• PubChem CID: 5283339
• FEMA ID: 3212
• Council of Europe Number: 732
• Flavis Number: 5.194

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.6218877
• LogD (pH = 7.4): 2.6218877
• Log P: 2.6218877
• Molar Refractivity: 46.1611 cm^3
• Polarizability: 16.916483 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 97-98 °C/10 mmHg(lit.)
• Flash Point: 186.8 °F; 86 °C
• Density: 0.862 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.5207(lit.)
• Vapor Density: >1 (vs air)
• Organoleptic: melon; fatty; floral; meaty; green; vegetable; fishy

Safety Information

• German water hazard class: 3
• Storage Temperature: 2-8°C

Pharmacology Properties

• Allergens: no known allergens

Product Information

• Purity: ≥85%
• Grade: Kosher; NI
• Linear Formula: CH3(CH2)3CH=CHCH=CHCHO

DETAILS

Sigma Aldrich - W321206

Biochem/physiol Actions
Odor at 1.0%
Taste at 2 ppm
Other Notes
Natural occurrence: Avocado, Brazil nut, caviar, cooked beef, chicken and pork, cooked lamb/mutton, fish, milk and roasted peanut.
Packaging
1 kg in glass bottle
1 sample in glass bottle
25, 100 g in glass bottle

Sigma Aldrich - 180556

Packaging
5 g in glass bottle