dec-9-en-1-ol

• ChemBase ID: 90500
• Molecular Formular: C10H20O
• Molecular Mass: 156.2652
• Monoisotopic Mass: 156.15141526
• SMILES: OCCCCCCCCC=C
• Canonical SMILES: OCCCCCCCCC=C
• InChI: InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h2,11H,1,3-10H2
• InChIKey: QGFSQVPRCWJZQK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dec-9-en-1-ol
• IUPAC Traditional name: 9-decen-1-ol
• Synonyms: Trepanol; 9-Decen-1-ol; 9-Decen-1-ol; 9-癸烯-1-醇

Database IDs

• CAS Number: 13019-22-2
• EC Number: 235-878-6
• MDL Number: MFCD00002992
• Beilstein Number: 1750928
• PubChem SID: 24859032; 24847368; 162077298
• PubChem CID: 25612

CALCULATED PROPERTIES

• Acid pKa: 16.843943
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.168746
• LogD (pH = 7.4): 3.168746
• Log P: 3.168746
• Molar Refractivity: 49.785 cm^3
• Polarizability: 19.548393 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -13°C
• Boiling Point: 234-238 °C(lit.); 234-238°C; 235°C; 235-237°C
• Flash Point: >98°C; 104°C(219°F); 210.2 °F; 99 °C
• Density: 0.847; 0.875 g/ml; 0.876; 0.876 g/mL at 25 °C(lit.)
• Refractive Index: 1.4480; n20/D 1.447(lit.)

Safety Information

• Storage Warning: Irritant
• RTECS: HE2095000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 2
• Risk Statements: 36/37/38; 36/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319; H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P280G-P305+P351+P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 90%; 90+%; 97%
• Grade: technical grade
• Linear Formula: H2C=CH(CH2)8OH

DETAILS

MP Biomedicals - 05223467

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 118354

Packaging
5, 10 g in glass bottle

Sigma Aldrich - 316652

Packaging
25 g in glass bottle