10-chlorodecan-1-ol

• ChemBase ID: 146746
• Molecular Formular: C10H21ClO
• Molecular Mass: 192.72614
• Monoisotopic Mass: 192.12809297
• SMILES: C(CCCCCCl)CCCCO
• Canonical SMILES: OCCCCCCCCCCCl
• InChI: InChI=1S/C10H21ClO/c11-9-7-5-3-1-2-4-6-8-10-12/h12H,1-10H2
• InChIKey: OTUSESJECXGMIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 10-chlorodecan-1-ol
• IUPAC Traditional name: 1-decanol, 10-chloro-
• Synonyms: 10-Chloro-1-decanol; 10-氯-1-癸醇

Database IDs

• CAS Number: 51309-10-5
• EC Number: 257-129-2
• MDL Number: MFCD00004748
• PubChem SID: 24859419; 162240938
• PubChem CID: 123526

CALCULATED PROPERTIES

• Acid pKa: 16.843943
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.3906472
• LogD (pH = 7.4): 3.3906472
• Log P: 3.3906472
• Molar Refractivity: 54.7206 cm^3
• Polarizability: 21.581408 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 12-13 °C(lit.)
• Boiling Point: 126-128 °C/2 mmHg(lit.)
• Flash Point: 113 °C; 235.4 °F
• Density: 0.952 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.46(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 90%
• Linear Formula: Cl(CH2)10OH

DETAILS

Sigma Aldrich - 323861

Other Notes
Remainder 1,10-dichlorodecane and 1,10-decanediol
Packaging
5, 25 g in glass bottle