dicyclopropylmethanone

• ChemBase ID: 81466
• Molecular Formular: C7H10O
• Molecular Mass: 110.1537
• Monoisotopic Mass: 110.07316494
• SMILES: O=C(C1CC1)C1CC1
• Canonical SMILES: O=C(C1CC1)C1CC1
• InChI: InChI=1S/C7H10O/c8-7(5-1-2-5)6-3-4-6/h5-6H,1-4H2
• InChIKey: BIPUHAHGLJKIPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dicyclopropylmethanone
• IUPAC Traditional name: methanone, dicyclopropyl-
• Synonyms: DICYCLOPROPYL KETONE; Dicyclopropyl ketone; Dicyclopropylketone; Dicyclopropylmethanone 96%; 双环丙基酮; 二环丙基甲酮

Database IDs

• CAS Number: 1121-37-5
• EC Number: 214-331-5
• MDL Number: MFCD00001276
• Beilstein Number: 774172
• PubChem SID: 24862402; 162068585; 24847696
• PubChem CID: 70721

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.6658722
• LogD (pH = 7.4): 1.6658722
• Log P: 1.6658722
• Molar Refractivity: 30.9932 cm^3
• Polarizability: 12.236553 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 160-162 °C(lit.); 160-162°C; 160-162°C
• Flash Point: 102.2 °F; 39 °C; 39°C; 39°C(102°F)
• Density: 0.968; 0.977; 0.977 g/mL at 25 °C(lit.)
• Refractive Index: 1.467; 1.4670; n20/D 1.467(lit.); n20/D 1.469

Safety Information

• Storage Warning: Harmful/Flammable
• European Hazard Symbols: X; Irritant (Xi)
• UN Number: 1224; UN1224
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10; 10-22-37/38-41; R:36/37/38
• Safety Statements: 16; 26-36/37/39; S:20-25-26-37/39
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05; GHS06
• GHS Signal Word: Warning
• GHS Hazard statements: H226; H301-H315-H335-H318-H226
• GHS Precautionary statements: P210-P301+P310-P303+P361+P353-P305+P351+P338-P405-P501A
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1224 3/PG 3

Product Information

• Purity: ≥90% (GC); 95%; 96%
• Grade: technical
• Linear Formula: (C3H5)2CO

DETAILS

MP Biomedicals - 05212196

MP Biomedicals Rare Chemical collection