undecane

• ChemBase ID: 105036
• Molecular Formular: C11H24
• Molecular Mass: 156.30826
• Monoisotopic Mass: 156.18780077
• SMILES: CCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCC
• InChI: InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3
• InChIKey: RSJKGSCJYJTIGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: undecane
• IUPAC Traditional name: undecane
• Synonyms: HENDECANE; Undecane; n-Hendecane; n-Undecane; Undecane; Hendecane; n-Undecane; n-UNDECANE; 十一碳烷; 正十一烷; 十一烷; 正十一烷

Database IDs

• CAS Number: 1120-21-4
• EC Number: 214-300-6
• MDL Number: MFCD00008959
• Beilstein Number: 1697099
• PubChem SID: 162091853; 24902054; 24889948; 24900644; 24867980
• PubChem CID: 14257
• CHEBI ID: 46342
• CHEMBL: 132474
• Chemspider ID: 13619
• MeSH Name: undecane
• Unique Ingredient Identifier: JV0QT00NUE
• Wikipedia Title: Undecane

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.353981
• LogD (pH = 7.4): 5.353981
• Log P: 5.353981
• Molar Refractivity: 52.4132 cm^3
• Polarizability: 21.063684 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Colorless liquid; Liquid
• Melting Point: -26 °C (-14 °F); -26 °C(lit.); -26.55 - -24.95°C (246.6 - 248.2 K); -26°C
• Boiling Point: 192.85 - 196.85°C (466 - 470 K); 196 °C (384 °F); 196 °C(lit.); 196°C
• Flash Point: 143.6 °F; 60°C; 60°C(140°F); 62 °C; 62.0 °C
• Density: 0.74; 0.74 g/mL at 25 °C(lit.); 0.744 at 25 °C (water = 1); 740 mg mL^-1
• Refractive Index: 1.417; 1.4173; n20/D 1.417(lit.); n20/D 1.418
• Vapor Pressure: <0.4 mmHg ( 20 °C); 0.052 kPa (0.4 mm Hg) at 25 °C; 55 Pa
• Vapor Density: 5.4 (air = 1); 5.4 (vs air)
• Partition Coefficient: 6.312
• Henry Constant: 5.4 nmol Pa^-1 kg^-1
• Odor: Gasoline-like to Odorless
• Heat Capacity: 345.05 J K^-1 mol^-1
• Std enthalpy of combustion: -7.4339–-7.4287 MJ mol^-1
• Std enthalpy of formation: -329.8–-324.6 kJ mol^-1
• Std molar entropy: 458.15 J K^-1 mol^-1

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: YQ1525000
• European Hazard Symbols: Flammable (F); X; Harmful (Xn)
• UN Number: 2330; UN2330
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3; III
• Australian Hazchem: 3Y
• Risk Statements: 36/37/38-65; 65-66; R:18; R36/37/38, R65
• Safety Statements: 26; 26-36/37-62; 62; S:29; S:9-16-29; S26, S36
• EU Classification: F1
• EU Hazard Identification Number: 3B
• Emergency Response Guidebook(ERG) Number: 128
• TSCA Listed: 是
• GHS Pictograms: GHS health hazard; GHS skull and crossbones; GHS02; GHS07; GHS08
• GHS Signal Word: DANGER; Danger
• GHS Hazard statements: 304, 315, 319, 331, 335; H304; H304-H226-H315-H319-H335; H304-H315-H319-H335
• GHS Precautionary statements: 261, 301+310, 305+351+338, 311, 331; P261-P280F-P301+P330+P331-P315; P261-P301 + P310-P305 + P351 + P338-P331; P301 + P310-P331
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2330 3/PG 3
• Supplemental Hazard Statements: Repeated exposure may cause skin dryness or cracking.

Product Information

• Purity: ≥97.0% (GC); ≥99%; ≥99.8% (GC); 99%
• Grade: analytical standard; NI; purum
• Packaging: ampule of 1000 mg
• Impurities: ≤1% decane; cycloparaffins; isoparaffin
• Shelf Life: (limited shelf life, expiry date on the label)
• Linear Formula: CH3(CH2)9CH3

DETAILS

MP Biomedicals - 05202592

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02158231

Purity: 99%
1 ml = approx. 0.74 g

Sigma Aldrich - W510505

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

Sigma Aldrich - U407

Packaging
25, 100 mL in glass bottle