(2R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol

• ChemBase ID: 301927
• Molecular Formular: C10H18O
• Molecular Mass: 154.24932
• Monoisotopic Mass: 154.1357652
• SMILES: CC1([C@@H](C2(CCC1C2)C)O)C
• Canonical SMILES: O[C@@H]1C2(C)CCC(C1(C)C)C2
• InChI: InChI=1S/C10H18O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7-8,11H,4-6H2,1-3H3/t7?,8-,10?/m0/s1
• InChIKey: IAIHUHQCLTYTSF-ZCUBBSJVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
• IUPAC Traditional name: (2R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
• Synonyms: (+)-Fenchol; 1,3,3-Trimethyl-2-norbornanol; (1R)-endo-(+)-Fenchyl alcohol; (1R)-endo-(+)-葑基 醇

Database IDs

• CAS Number: 2217-02-9
• EC Number: 216-639-5
• MDL Number: MFCD00003760
• Beilstein Number: 1850917

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.1453652
• LogD (pH = 7.4): 2.1453652
• Log P: 2.1453652
• Molar Refractivity: 45.1603 cm^3
• Polarizability: 18.31186 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 37-44°C
• Boiling Point: 201-202°C
• Flash Point: 73°C(163°F)
• Optical Rotation: +10.5 (c=10 in ethanol)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/38
• Safety Statements: 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319
• GHS Precautionary statements: P280G-P305+P351+P338

Product Information

• Purity: 96%