Heptane,99%, CAS No. 142-82-5
Straight-Chain Alkane
Heptane or n-heptane is the straight-chain alkane with the chemical formula H₃C(CH₂)₅CH₃ or C₇H₁₆, and is one of the main components of gasoline. When used as a test fuel component in anti-knock test engines, a 100% heptane fuel is the zero point of the octane rating scale. Octane number equates to the anti-knock qualities of a comparison mixture of heptane and isooctane which is expressed as the percentage of isooctane in heptane and is listed on pumps for gasoline dispensed globally.
Structure:
Density: 0.68 g/cm³
Boiling point: 209.16°F (98.42°C)
Chemical formula: C₇H₁₆
Average Molar mass: 100.21 g/mol
Pictogram(s)
| Signal | Danger |
|---|---|
| GHS Hazard Statements | Aggregated GHS information provided by 2851 companies from 70 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]H304 (100%): May be fatal if swallowed and enters airways [Danger Aspiration hazard] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H336 (97.47%): May cause drowsiness or dizziness [Warning Specific target organ toxicity, single exposure; Narcotic effects] H400 (96.39%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (99.93%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. |
Molecular Formula: C7H16 or CH3(CH2)5CH3
| Product Name | CAS No. | Tarrif No. | Packing | Unit | MOQ (mt) |
| n-Heptane,99% | 142-82-5 | 2901100000 | ISO Tanks | mt | 16.00 |
| n-Heptane,99% | 142-82-5 | 2901100000 | Drums | mt | 10.96 |
Certificate of Analysis Report
n-Heptane,99%
| Lab Assistant | Sun Jiangfeng | Analyst | Ge Lianlian |
| Source of the Sample | Tank V207A | Quality Reviewer | Wu Yanling |
| Date Taken | 14-08-2020 | Lab Supervisor | Zhu Guorui |
| Project Analysis | Quality Controlling Index | Test Results | Test Methods |
| Content of n-Heptane, w% | ≥99 | 99.89 | SH/T 0714 |
| Distillation range, primary distillation point, dry point (℃) | ≥94 ≤99 | 96-98 | GB/T 6536 |
| Density (20 ℃), kg / m3 | 650-690 | 683 | GB/T 1885 |
| Bromine index, MGBR / 100g | ≤100 | 0.17 | GB/T 11136 |
| Saybolt Colour | ≥+28 | +30 | GB/T 3555 |
| Sulfur content, mg/kg | ≤2 | 0.11 | SH/T 0689 |
| Micro aromatic hydrocarbon, ppm | ≤10 | Not Found | GB/T 17474 |
| Water w/v% | ≤0.1 | 0.0057 | SH/T 0409 |
| Nonvolatile content, w/v% | ≤0.005 | 0.0002 | GB/T 3209 |
Heptane – Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 100.2 g/mol |
| XLogP3 | 4.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 4 |
| Exact Mass | 100.125201 g/mol |
| Monoisotopic Mass | 100.125201 g/mol |
| Topological Polar Surface Area | 0 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 19.2 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
