cyclohexyl prop-2-enoate

• ChemBase ID: 109112
• Molecular Formular: C9H14O2
• Molecular Mass: 154.20626
• Monoisotopic Mass: 154.09937969
• SMILES: C=CC(=O)OC1CCCCC1
• Canonical SMILES: C=CC(=O)OC1CCCCC1
• InChI: InChI=1S/C9H14O2/c1-2-9(10)11-8-6-4-3-5-7-8/h2,8H,1,3-7H2
• InChIKey: KBLWLMPSVYBVDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclohexyl prop-2-enoate
• IUPAC Traditional name: cyclohexyl acrylate
• Synonyms: CYCLOHEXYL ACRYLATE; Acrylic acid cyclohexyl ester; Cyclohexyl acrylate; 2-丙烯酸环己基酯

Database IDs

• CAS Number: 3066-71-5
• EC Number: 221-319-3
• MDL Number: MFCD00046349
• Beilstein Number: 1937528
• PubChem SID: 162106239
• PubChem CID: 18298

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.7114453
• LogD (pH = 7.4): 2.7114453
• Log P: 2.7114453
• Molar Refractivity: 43.0747 cm^3
• Polarizability: 17.100119 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 182-184°C
• Flash Point: 68°C(154°F)
• Density: 0.980
• Refractive Index: 1.4590

Safety Information

• RTECS: AS7350000
• European Hazard Symbols: Nature polluting (N); Irritant (Xi)
• UN Number: UN3082
• Hazard Class: 9
• Packing Group: III
• Risk Statements: 37/38-51/53
• Safety Statements: 2-61
• TSCA Listed: 是
• GHS Pictograms: GHS07; GHS09
• GHS Hazard statements: H315-H335-H227-H411
• GHS Precautionary statements: P210-P261-P302+P352-P321-P405-P501A

Product Information

• Purity: 98+%, stab. with 100ppm 4-methoxyphenol

DETAILS

MP Biomedicals - 05209890

MP Biomedicals Rare Chemical collection