tetradecane

• ChemBase ID: 3228
• Molecular Formular: C14H30
• Molecular Mass: 198.388
• Monoisotopic Mass: 198.23475096
• SMILES: CCCCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCCC
• InChI: InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3
• InChIKey: BGHCVCJVXZWKCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetradecane
• IUPAC Traditional name: tetradecane
• Synonyms: Tetradecane; n-TETRADECANE; n-Tetradecane; Tetradecane; 正十四烷; 十四烷

Database IDs

• CAS Number: 629-59-4
• EC Number: 211-096-0
• MDL Number: MFCD00008986
• Beilstein Number: 1733859
• PubChem SID: 46507858; 24888862; 24850401; 24867973; 160966671; 24888861
• PubChem CID: 12389

CALCULATED PROPERTIES

JChem

• LogD (pH = 7.4): 6.6876874
• Log P: 6.6876874
• Molar Refractivity: 66.2162 cm^3
• Polarizability: 26.604607 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.6876874

ALOGPS 2.1

• Log P: 7.7
• LOG S: -6.55
• Solubility (Water): 5.53e-05 g/l

PROPERTIES

Physical Property

• Apperance: Liquid
• Melting Point: 4°C; 5.5 °C(lit.); 6°C
• Boiling Point: 252-254 °C(lit.); 252-254°C; 253.7°C
• Flash Point: 100 °C; 212 °F; 99°C(211°F)
• Auto Ignition Point: 455 °F
• Density: 0.762 g/mL at 20 °C(lit.); 0.763
• Refractive Index: 1.4290; n20/D 1.429; n20/D 1.429(lit.)
• Vapor Pressure: 1 mmHg ( 76.4 °C)
• Vapor Density: 6.83 (vs air)

Safety Information

• RTECS: XB8000000
• European Hazard Symbols: X; Irritant (Xi); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 65-67; R:18-36/37/38
• Safety Statements: 23-24-62; 36-60; S:25-26-37/39
• TSCA Listed: 是
• GHS Pictograms: GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H304-H336
• GHS Precautionary statements: P261-P301 + P310-P331; P261-P301+P310-P304+P340-P312-P405-P501A
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter; Eyeshields, Gloves

Product Information

• Purity: ≥99%; ≥99.0% (GC); ≥99.5% (GC); 95+%; 99%; 99+%
• Grade: analytical standard; analytical standard, for environmental analysis
• Packaging: ampule of 1000 mg
• Description: olefine free
• Shelf Life: (limited shelf life, expiry date on the label)
• Linear Formula: CH3(CH2)12CH3

DETAILS

MP Biomedicals - 05219175

MP Biomedicals Rare Chemical collection

DrugBank - DB03563

Drug information: experimental

Sigma Aldrich - 87140

Packaging
50, 250 mL in glass bottle

Sigma Aldrich - 172456

Packaging
2, 100, 500 g in glass bottle