(7Z)-dec-7-enal

• ChemBase ID: 149977
• Molecular Formular: C10H18O
• Molecular Mass: 154.24932
• Monoisotopic Mass: 154.1357652
• SMILES: CC/C=C\CCCCCC=O
• Canonical SMILES: O=CCCCCC/C=C\CC
• InChI: InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h3-4,10H,2,5-9H2,1H3/b4-3-
• InChIKey: UZFFFFWQKMPLAC-ARJAWSKDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (7Z)-dec-7-enal
• IUPAC Traditional name: (7Z)-dec-7-enal
• Synonyms: cis-7-Decenal; 顺-7-癸烯醛

Database IDs

• CAS Number: 21661-97-2
• EC Number: 244-512-4
• MDL Number: MFCD00015571
• Beilstein Number: 4175178
• PubChem SID: 24878925; 162244139
• PubChem CID: 5362695

CALCULATED PROPERTIES

• Acid pKa: 17.781788
• 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: 143-145 °C(lit.); 80°C/4mm
• Flash Point: 25 °C; 77 °F; 87°C(188°F)
• Density: 0.842 g/mL at 25 °C(lit.); 0.844
• Refractive Index: 1.4450; n20/D 1.445(lit.)

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Irritant (Xi)
• UN Number: 1989
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10-36/37/38; 36/37/38
• Safety Statements: 16-26-36; 23-26-37
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H315-H319-H335; H315-H319-H335-H227
• GHS Precautionary statements: P210-P305+P351+P338-P302+P352-P321-P405-P501A; P261-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 1989 3/PG 3
• Storage Temperature: 2-8°C

Product Information

• Purity: 96%; 97%
• Linear Formula: CH3CH2CH=CH(CH2)5CHO

DETAILS

Sigma Aldrich - 547212

Packaging
5 g in glass bottle