non-3-yn-1-ol

• ChemBase ID: 108384
• Molecular Formular: C9H16O
• Molecular Mass: 140.22274
• Monoisotopic Mass: 140.12011513
• SMILES: CCCCCC#CCCO
• Canonical SMILES: CCCCCC#CCCO
• InChI: InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h10H,2-5,8-9H2,1H3
• InChIKey: TZZVRLFUTNYDEG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: non-3-yn-1-ol
• IUPAC Traditional name: non-3-yn-1-ol
• Synonyms: 3-Nonyn-1-ol; 3-NONYN-1-OL; 3-壬炔-1-醇

Database IDs

• CAS Number: 31333-13-8
• EC Number: 250-573-8
• MDL Number: MFCD00002958
• Beilstein Number: 1700444
• PubChem SID: 24854677; 162095522
• PubChem CID: 123437

CALCULATED PROPERTIES

• Lipinski's Rule of Five: true
• Acid pKa: 16.1264
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.612872
• LogD (pH = 7.4): 2.612872
• Log P: 2.612872
• Molar Refractivity: 44.5013 cm^3
• Polarizability: 16.833944 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 6

PROPERTIES

Physical Property

• Boiling Point: 111-112 °C/20 mmHg(lit.); 111-112°C/20mm
• Flash Point: 201.2 °F; 93°C(199°F); 94 °C
• Density: 0.884; 0.888 g/mL at 25 °C(lit.)
• Refractive Index: 1.4570; n20/D 1.457(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 98%; 99%
• Linear Formula: CH3(CH2)4C≡CCH2CH2OH

DETAILS

MP Biomedicals - 05207170

MP Biomedicals Rare Chemical collection