deca-2,4-dienal

• ChemBase ID: 110120
• Molecular Formular: C10H16O
• Molecular Mass: 152.23344
• Monoisotopic Mass: 152.12011513
• SMILES: CCCCC/C=C/C=C/C=O
• Canonical SMILES: CCCCC/C=C/C=C/C=O
• InChI: InChI=1S/C10H16O/c1-2-3-4-5-6-7-8-9-10-11/h6-10H,2-5H2,1H3
• InChIKey: JZQKTMZYLHNFPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: deca-2,4-dienal; (2E,4E)-deca-2,4-dienal
• IUPAC Systematic name: (2E,4E)-Deca-2,4-dienal
• IUPAC Traditional name: deca-2,4-dienal; (E,E)-2,4-decadienal
• Synonyms: (2E,4E)-2,4-Decadienal; (2E,4E)-Deca-2,4-dienal; (2E,4E)-Decadienal; (E,E)-2,4-Decadien-1-al; (E,E)-2,4-Decadienal; 2-trans,4-trans-Decadienal; trans,trans-2,4-Decadien-1-al; trans,trans-2,4-Decadienal; trans-2,trans-4-Decadienal; trans,trans-2,4-Decadienal; (2E,4E)-Deca-2,4-dienal; trans,trans-2,4-Decadienal; 2,4-DECADIEN-1-AL; (E,E)-2,4-Decadienal; 反,反-2,4-癸二烯醛; 反式-2,4-癸二烯醛

Database IDs

• CAS Number: 25152-84-5
• EC Number: 246-668-9
• MDL Number: MFCD00007007
• Beilstein Number: 1704897
• PubChem SID: 24850872; 24901481; 162096389
• PubChem CID: 5283349
• CHEMBL: 443949
• Chemspider ID: 4446470
• FEMA ID: 3135
• MeSH Name: 2-trans-4-trans-Decadienal
• Unique Ingredient Identifier: 3G88X2RK09
• Wikipedia Title: (E,E)-2,4-Decadienal
• Council of Europe Number: 2120
• Flavis Number: 5.14

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.0664563
• LogD (pH = 7.4): 3.0664563
• Log P: 3.0664563
• Molar Refractivity: 50.7621 cm^3
• Polarizability: 18.762976 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 110°C/7mm; 114.85°C (388K) (at 1.3 kPa); 114-116 °C/10 mmHg(lit.)
• Flash Point: 101 °C; 101°C(213°F); 213.8 °F
• Density: 0.872; 0.872 g/mL at 20 °C(lit.)
• Refractive Index: 1.515; 1.5160; n20/D 1.515(lit.)
• Vapor Density: >1 (vs air)
• Partition Coefficient: 3.419
• Organoleptic: citrus; fatty; meaty

Safety Information

• Storage Warning: Air Sensitive
• RTECS: HD3000000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 2
• Risk Statements: 36/37/38; 36/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319; H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P280-P305+P351+P338-P302+P352-P321-P362-P332+P313
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• Storage Temperature: 2-8°C
• Regulation Compliance: EU Regulation 1334/2008 & 178/2002

Pharmacology Properties

• Allergens: no known allergens

Product Information

• Purity: 85%; 90+%, remainder mainly trans,cis isomer; 95+%
• Grade: FG; Halal; Kosher; NI; technical grade
• Contains: 0.50% alpha-tocopherol, synthetic as antioxidant
• Linear Formula: CH3(CH2)4CH=CHCH=CHCHO

DETAILS

MP Biomedicals - 05213828

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 180513

Packaging
1, 5 g in glass bottle

Sigma Aldrich - W313505

Packaging
Packaged in glass bottles

Toronto Research Chemicals - D210500

trans,trans-2,4-Decadienal is an aldehyde with a fat flavor aroma characteristic of chicken but has a citrus odor at lower concentrations. trans,trans-2,4-Decadienal can be found in butter, cooked beef, fish, potato chips, roasted peanut, buckwheat and wh

REFERENCES

• Janes, D. et al.: Food Chem., 112, 120 (2008)
• Vermeulena, N. et al.: J. Cer. Sci., 45, 78 (2008)