(2E)-dec-2-enal

• ChemBase ID: 110123
• Molecular Formular: C10H18O
• Molecular Mass: 154.24932
• Monoisotopic Mass: 154.1357652
• SMILES: CCCCCCC/C=C/C=O
• Canonical SMILES: CCCCCCC/C=C/C=O
• InChI: InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h8-10H,2-7H2,1H3
• InChIKey: MMFCJPPRCYDLLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2E)-dec-2-enal; dec-2-enal
• IUPAC Traditional name: 2-decenal
• Synonyms: trans-2-Decenal; (E)-Dec-2-enal; trans-2-DECENAL; 2-DECEN-1-AL; 反式-2-癸烯醛

Database IDs

• CAS Number: 3913-81-3
• EC Number: 223-474-2
• MDL Number: MFCD00014679
• Beilstein Number: 1704445
• PubChem SID: 24858347; 24901022; 162095402
• PubChem CID: 5283345
• FEMA ID: 2366
• Council of Europe Number: 2009
• Flavis Number: 5.191

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.428378
• LogD (pH = 7.4): 3.428378
• Log P: 3.428378
• Molar Refractivity: 49.6455 cm^3
• Polarizability: 18.9974 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 117?C; 117°C/17mm; 78-80 °C/3 mmHg(lit.)
• Flash Point: 204.8 °F; 93°C(199°F); 96 °C
• Density: 0.84 g/ml; 0.840; 0.841 g/mL at 25 °C(lit.)
• Refractive Index: 1.4565; n20/D 1.453(lit.)
• Organoleptic: oily; orange; citrus; floral; fatty; waxy; meaty; green

Safety Information

• RTECS: HE2070000
• European Hazard Symbols: Nature polluting (N); Irritant (Xi)
• UN Number: 3082
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 36/38; 36-43-50/53
• Safety Statements: 26-36/37-60-61; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H227; H317-H319-H400
• GHS Precautionary statements: P210-P305+P351+P338-P302+P352-P321-P403+P235-P501A; P273-P280-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3082 9/PG 3
• Regulation Compliance: EU Regulation 1334/2008 & 178/2002; FCC

Pharmacology Properties

• Allergens: no known allergens

Product Information

• Purity: ≥92%; ≥95.0% (GC); 95%; 95+%
• Grade: Kosher; NI
• Linear Formula: CH3(CH2)6CH=CHCHO

DETAILS

MP Biomedicals - 05213838

MP Biomedicals Rare Chemical collection

MP Biomedicals - 05213846

MP Biomedicals Rare Chemical collection

Sigma Aldrich - W236608

Packaging
1 kg in glass bottle
1 sample in glass bottle
200 g in poly bottle
4 kg in poly drum

Sigma Aldrich - 30658

Packaging
10 mL in glass bottle