methylidenecyclopentane

• ChemBase ID: 112360
• Molecular Formular: C6H10
• Molecular Mass: 82.1436
• Monoisotopic Mass: 82.07825032
• SMILES: C=C1CCCC1
• Canonical SMILES: C=C1CCCC1
• InChI: InChI=1S/C6H10/c1-6-4-2-3-5-6/h1-5H2
• InChIKey: NFJPEKRRHIYYES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methylidenecyclopentane
• IUPAC Traditional name: cyclopentane, methylene-
• Synonyms: METHYLENECYCLOPENTANE; Methylenecyclopentane; 亚甲基环戊烷

Database IDs

• CAS Number: 1528-30-9
• EC Number: 216-203-4
• MDL Number: MFCD00001421
• Beilstein Number: 1847501
• PubChem SID: 24855127; 162098179
• PubChem CID: 73714

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.1622167
• LogD (pH = 7.4): 2.1622167
• Log P: 2.1622167
• Molar Refractivity: 27.3311 cm^3
• Polarizability: 10.853355 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 75°C; 75-76 °C(lit.)
• Flash Point: -.4 °F; -18 °C
• Density: 0.781 g/ml; 0.781 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.435(lit.); n20/D 1.436

Safety Information

• European Hazard Symbols: Flammable (F); Harmful (Xn)
• UN Number: 3295
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-65; R:11-18
• Safety Statements: 16-62; S:9-16-29
• GHS Pictograms: GHS02; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H304
• GHS Precautionary statements: P210-P301 + P310-P331
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3295 3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥99.0% (GC); 97%
• Grade: puriss.
• Linear Formula: C5H8(=CH2)

DETAILS

MP Biomedicals - 05223620

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 251356

Packaging
1, 10 g in ampule