2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane

• ChemBase ID: 103090
• Molecular Formular: C10H16
• Molecular Mass: 136.23404
• Monoisotopic Mass: 136.12520051
• SMILES: CC1(C)C2CCC(C2)C1=C
• Canonical SMILES: C=C1C2CCC(C1(C)C)C2
• InChI: InChI=1S/C10H16/c1-7-8-4-5-9(6-8)10(7,2)3/h8-9H,1,4-6H2,2-3H3
• InChIKey: CRPUJAZIXJMDBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane
• IUPAC Traditional name: camphene
• Synonyms: DL-CAMPHENE TECHNICAL GRADE; (-)-Camphene; CAMPHENE; 2,2-dimethyl-3-methylenebicyclo[2.2.1]heptane; (-)-莰烯

Database IDs

• CAS Number: 79-92-5; 5794-04-7
• EC Number: 201-234-8; 227-337-8
• MDL Number: MFCD00066603
• Merck Index: 141730
• PubChem SID: 162089814
• PubChem CID: 6616
• CHEBI ID: 3830
• Chemspider ID: 6364
• KEGG ID: C06076
• Unique Ingredient Identifier: G3VG94Z26E
• Wikipedia Title: Camphene

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.859595
• LogD (pH = 7.4): 2.859595
• Log P: 2.859595
• Molar Refractivity: 43.6498 cm^3
• Polarizability: 17.495043 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Practically insoluble in water
• Apperance: Crystalline solid
• Melting Point: 45 - 46 °C; 45-46°C; 51 - 52°C; ca 35°C
• Boiling Point: 156.5 - 159 °C at 1013 hPa; 156.5-159°C; 159°C; 159-160°C
• Flash Point: 34°C(94°F); 40 °C; ca. 26 °C (closed cup and DIN 51755)
• Density: 0.842 g/cm^3; 0.850; 0.87 g/ml; ca. .87 g/cm^3 at 20 °C
• Vapor Pressure: 3.3 hPa at 20 °C (calculated)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: EX1055000
• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 2319; UN1325
• Hazard Class: 3; 4.1
• Packing Group: III
• Australian Hazchem: 3Y
• Risk Statements: 11-36; R:10; R11 R36/37/38 R50/53
• Safety Statements: 16-26-33-60; S:16; S16 S26 S29 S37/39 S57
• EU Classification: F1
• EU Hazard Identification Number: 3B
• Emergency Response Guidebook(ERG) Number: 128
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS07
• GHS Hazard statements: H228-H319-H313-H333
• GHS Precautionary statements: P210-P241-P280-P240-P305+P351+P338-P304+P312

Product Information

• Purity: ~95%; tech. 80% (sum of camphene + fenchene)
• Grade: TECHNICAL
• Classification: Genuine Natural Compounds

DETAILS

MP Biomedicals - 05208794

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02150547

Purity: ~95%