undecan-1-ol

• ChemBase ID: 105037
• Molecular Formular: C11H24O
• Molecular Mass: 172.30766
• Monoisotopic Mass: 172.18271539
• SMILES: CCCCCCCCCCCO
• Canonical SMILES: CCCCCCCCCCCO
• InChI: InChI=1S/C11H24O/c1-2-3-4-5-6-7-8-9-10-11-12/h12H,2-11H2,1H3
• InChIKey: KJIOQYGWTQBHNH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: undecan-1-ol
• IUPAC Traditional name: undecanol; 1-undecanol
• Synonyms: n-Undecyl alcohol; 1-Hydroxyundecane; Alcohol C11; Undecyl alcohol; 1-Undecanol; 1-Undecanol; Undecyl alcohol; HENDECANOL; 1-UNDECANOL; undecan-1-ol; 1-十一醇; 十一烷醇; 正十一醇; 十一醇; 十一醇

Database IDs

• CAS Number: 112-42-5
• EC Number: 203-970-5
• MDL Number: MFCD00004751
• Beilstein Number: 1698334
• PubChem SID: 24900621; 162092085; 24901463; 24889762
• PubChem CID: 8184
• FEMA ID: 3097
• Council of Europe Number: 751
• Flavis Number: 2.057

CALCULATED PROPERTIES

• Acid pKa: 16.843943
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.9173026
• LogD (pH = 7.4): 3.9173026
• Log P: 3.9173026
• Molar Refractivity: 54.3419 cm^3
• Polarizability: 21.629404 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 10 - 11°C; 11 °C; 16 °C; 19 °C (reported values vary); 11 °C(lit.); 13-15°C
• Boiling Point: 146 °C/30 mmHg(lit.); 243 °C; 243°C
• Flash Point: 113 °C; 113°C(235°F); 235.4 °F
• Density: 0.8298 at 20 °C (water = 1); 0.83 g/mL at 25 °C(lit.); 0.831
• Refractive Index: 1.4400; n20/D 1.44(lit.); n20/D 1.441
• Vapor Pressure: 0.04 mm Hg at 20 °C
• Vapor Density: 5.94 (air = 1)
• Hydrophobicity(logP): 4.526
• Organoleptic: grape; lemon; lime; green; sweet

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: YQ3155000
• European Hazard Symbols: Nature polluting (N); Irritant (Xi)
• UN Number: 3082; UN3082
• German water hazard class: 2; 3
• Hazard Class: 9
• Packing Group: 3; III
• Risk Statements: 36/38-51/53; 38-43-51/53; R:36/37
• Safety Statements: 26-37-61; 36/37-61; S:23-26
• TSCA Listed: 是
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H317-H411; H315-H319-H303-H401-H411
• GHS Precautionary statements: P273-P280; P280G-P273-P305+P351+P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3082 9/PG 3
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98.0% (GC); 95%; 97%; 98%; 99%
• Grade: Halal; Kosher; NI; purum
• Linear Formula: CH3(CH2)10OH

DETAILS

MP Biomedicals - 05209446

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02158234

Purity: 98%
1 ml = approx. 0.83 g

Sigma Aldrich - U1001

Packaging
100, 500 g in glass bottle

Sigma Aldrich - W309702

Packaging
1 kg in glass bottle
1 sample in glass bottle
4, 8 kg in poly drum