cyclododecanol

• ChemBase ID: 74316
• Molecular Formular: C12H24O
• Molecular Mass: 184.31836
• Monoisotopic Mass: 184.18271539
• SMILES: OC1CCCCCCCCCCC1
• Canonical SMILES: OC1CCCCCCCCCCC1
• InChI: InChI=1S/C12H24O/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h12-13H,1-11H2
• InChIKey: SFVWPXMPRCIVOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclododecanol
• IUPAC Traditional name: cyclododecanol
• Synonyms: Cyclododecanol; CYCLODODECANOL; Cyclododecanole 98%; Hydroxycyclododecane; 环十二醇

Database IDs

• CAS Number: 1724-39-6
• EC Number: 217-031-2
• MDL Number: MFCD00003717
• Beilstein Number: 2038454
• PubChem SID: 162039235; 24857268
• PubChem CID: 15595

CALCULATED PROPERTIES

• Acid pKa: 18.484173
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.9481053
• LogD (pH = 7.4): 3.9481053
• Log P: 3.9481053
• Molar Refractivity: 56.8815 cm^3
• Polarizability: 22.737331 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 75-77°C; 76-79°C; 77-78 °C; 77-79°C
• Boiling Point: 273°C
• Flash Point: 138 °C; 138°C; 138°C(280°F); 280.4 °F

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Nature polluting (N)
• UN Number: 3077; UN3077
• German water hazard class: 2
• Hazard Class: 9
• Packing Group: 3; III
• Risk Statements: 51/53
• Safety Statements: 61
• TSCA Listed: 是
• GHS Pictograms: GHS09
• GHS Hazard statements: H411; H411-H401
• GHS Precautionary statements: P273; P273-P391-P501A
• Personal Protective Equipment: Eyeshields, Gloves
• RID/ADR: UN 3077 9/PG 3

Product Information

• Purity: ≥98.0%; 99%
• Empirical Formula (Hill Notation): C12H24O
• Classification: Derivatives & analogs of Natural Compounds

DETAILS

MP Biomedicals - 05209947

MP Biomedicals Rare Chemical collection