decan-2-ol

• ChemBase ID: 109389
• Molecular Formular: C10H22O
• Molecular Mass: 158.28108
• Monoisotopic Mass: 158.16706532
• SMILES: CCCCCCCCC(C)O
• Canonical SMILES: CCCCCCCCC(O)C
• InChI: InChI=1S/C10H22O/c1-3-4-5-6-7-8-9-10(2)11/h10-11H,3-9H2,1-2H3
• InChIKey: ACUZDYFTRHEKOS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: decan-2-ol
• IUPAC Traditional name: decan-2-ol
• Synonyms: 2-DECANOL; Methyl n-octyl carbinol; Methyl octyl carbinol; 2-Decanol; 仲癸醇; 2-癸醇

Database IDs

• CAS Number: 1120-06-5
• EC Number: 214-296-6
• MDL Number: MFCD00004594
• Beilstein Number: 1719664
• PubChem SID: 24847367; 162094816
• PubChem CID: 14254

CALCULATED PROPERTIES

• Acid pKa: 17.683062
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.4447403
• LogD (pH = 7.4): 3.4447403
• Log P: 3.4447403
• Molar Refractivity: 49.5587 cm^3
• Polarizability: 19.78336 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -5°C; -6--4 °C(lit.)
• Boiling Point: 211 °C(lit.); 211°C
• Flash Point: 176 °F; 80 °C; 85°C(185°F)
• Density: 0.825; 0.827 g/mL at 25 °C(lit.)
• Refractive Index: 1.4340; n20/D 1.434; n20/D 1.434(lit.)

Safety Information

• European Hazard Symbols: Nature polluting (N); Irritant (Xi)
• UN Number: 3082
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 36-51/53
• Safety Statements: 26-61
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H227; H319
• GHS Precautionary statements: P210-P280-P370+P378A-P403+P235-P501A; P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3082 9/PG 3

Product Information

• Purity: ≥98.0% (GC); 98%
• Grade: purum
• Linear Formula: CH3(CH2)7CH(OH)CH3

DETAILS

MP Biomedicals - 05210853

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 118311

Packaging
25 g in glass bottle