(E)-cyclodecene

• ChemBase ID: 152808
• Molecular Formular: C10H18
• Molecular Mass: 138.24992
• Monoisotopic Mass: 138.14085058
• SMILES: C1CCCCC=CCCC1
• Canonical SMILES: C1CCCCC=CCCC1
• InChI: InChI=1S/C10H18/c1-2-4-6-8-10-9-7-5-3-1/h1-2H,3-10H2/b2-1+
• InChIKey: UCIYGNATMHQYCT-OWOJBTEDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (E)-cyclodecene
• IUPAC Traditional name: (E)-cyclodecene
• Synonyms: trans-Cyclodecene; 反式-环癸烯

Database IDs

• CAS Number: 2198-20-1
• MDL Number: MFCD00066161
• Beilstein Number: 2036982
• PubChem SID: 24857263; 162246951
• PubChem CID: 5364362

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.083765
• LogD (pH = 7.4): 4.083765
• Log P: 4.083765
• Molar Refractivity: 47.1266 cm^3
• Polarizability: 18.241005 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 143.6 °F; 62 °C
• Density: 0.867 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.484

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥98.0% (GC)
• Empirical Formula (Hill Notation): C10H18

DETAILS

Sigma Aldrich - 28706

Packaging
1 mL in glass bottle