(4Z)-dec-4-enal

• ChemBase ID: 148797
• Molecular Formular: C10H18O
• Molecular Mass: 154.24932
• Monoisotopic Mass: 154.1357652
• SMILES: CCCCC/C=C\CCC=O
• Canonical SMILES: CCCCC/C=C\CCC=O
• InChI: InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h6-7,10H,2-5,8-9H2,1H3/b7-6-
• InChIKey: CWRKZMLUDFBPAO-SREVYHEPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4Z)-dec-4-enal
• IUPAC Traditional name: (4Z)-dec-4-enal
• Synonyms: cis-4-Decenal; 顺-4- 癸烯醛; 顺-4-癸烯醛

Database IDs

• CAS Number: 21662-09-9
• EC Number: 244-514-5
• MDL Number: MFCD00007024
• Beilstein Number: 2323646
• PubChem SID: 162242971; 24901593; 24863394
• PubChem CID: 5362620
• FEMA ID: 3264
• Council of Europe Number: 2297
• Flavis Number: 5.137

CALCULATED PROPERTIES

• Acid pKa: 17.950216
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.0686328
• LogD (pH = 7.4): 3.0686328
• Log P: 3.0686328
• Molar Refractivity: 49.6688 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: 78-80 °C/10 mmHg(lit.); 78-80°C/10mm
• Flash Point: 179.6 °F; 81°C(177°F); 82 °C
• Density: 0.847 g/mL at 25 °C(lit.); 0.857
• Refractive Index: 1.4440; n20/D 1.443(lit.)
• Organoleptic: orange

Safety Information

• RTECS: HE2071400
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 2
• Risk Statements: 36/37/38; 36/38
• Safety Statements: 26-36/37/39; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H227; H315-H319-H335
• GHS Precautionary statements: P210-P305+P351+P338-P302+P352-P321-P403+P235-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• Regulation Compliance: FCC

Pharmacology Properties

• Allergens: no known allergens

Product Information

• Purity: ≥90%; 80%; 95%
• Grade: Halal; Kosher; NI; technical grade
• Impurities: ≤10% trans isomer
• Contains: 0.50% alpha-tocopherol, synthetic as antioxidant
• Linear Formula: CH3(CH2)4CH=CHCH2CH2CHO

DETAILS

Sigma Aldrich - W326402

Packaging
1 kg in glass bottle
1 sample in glass bottle
25, 100 g in glass bottle

Sigma Aldrich - 375624

Packaging
1, 5 g in glass bottle