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| CAS No.: | 629-78-7 |
|---|---|
| Name: | n-Heptadecane |
| Article Data: | 123 |
| Molecular Structure: | |
|
|
|
| Formula: | C17H36 |
| Molecular Weight: | 240.473 |
| Synonyms: | NSC 172782;n-Heptadecane |
| EINECS: | 211-108-4 |
| Density: | 0.777 g/mL at 25 °C(lit.) |
| Melting Point: | 21 C |
| Boiling Point: | 302 C |
| Flash Point: | 148 C (closed cup) |
| Appearance: | colourless liquid or white solid |
| Hazard Symbols: |
 Xn, Xi
|
| Risk Codes: | R65; R36/37/38 |
| Safety: | Mildly toxic by intravenous route. When heated to decomposition it emits acrid smoke and irritating vapors. |
| PSA: | 0.00000 |
| LogP: | 6.87770 |
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| Conditions | Yield |
|---|---|
| With silicon nanowire array-supported rhodium nanoparticle catalyst at 150℃; under 750.075 Torr; for 24h; Inert atmosphere; | A 99% B n/a |
| Conditions | Yield |
|---|---|
| With hydrogen at 200℃; under 7500.75 Torr; for 24h; Microwave irradiation; | A 98% B n/a |
| Conditions | Yield |
|---|---|
| With hydrogen In hexane at 200℃; under 30003 Torr; for 4h; Reagent/catalyst; Solvent; Autoclave; Green chemistry; | 95.9% |
| With selenium at 310 - 325℃; | |
| With nickel at 350℃; |
| Conditions | Yield |
|---|---|
| 5% Pt/Ge/C Product distribution / selectivity; | 95% |
| With 1 wt percent Pt/cobalt-based zeolitic imidazolate framework-67/zeolite 5A at 320℃; under 15001.5 Torr; for 2h; Reagent/catalyst; Temperature; Pressure; | 81% |
| Multi-step reaction with 2 steps 1: palladium on activated carbon / water / 20 h / 250 °C 2: palladium on activated carbon / water / 20 h / 250 °C View Scheme |
| Conditions | Yield |
|---|---|
| With hydrogen at 200℃; under 7500.75 Torr; for 24h; Reagent/catalyst; Wavelength; Microwave irradiation; | A 94% B n/a |
| With hydrogen at 300℃; under 31789.8 Torr; Inert atmosphere; | |
| With hydrogen In dodecane at 350℃; under 11400.8 Torr; for 1h; Kinetics; Mechanism; Catalytic behavior; Temperature; Concentration; Time; Pressure; Reagent/catalyst; Autoclave; | |
| With hydrogen In dodecane at 350℃; under 11400.8 Torr; for 2h; Catalytic behavior; Reagent/catalyst; Temperature; Time; Pressure; |
- 93662-61-4
9-tosyl-9-heptadecyl isocyanide
- 629-78-7
hepatdecane
| Conditions | Yield |
|---|---|
| With lithium In diethyl ether; ethanol; ammonia at -32℃; for 2h; | 93% |
| With lithium In diethyl ether; ethanol; ammonia at -33℃; for 3h; | 93% |
| Conditions | Yield |
|---|---|
| With methanol In water at 330℃; for 1h; Catalytic behavior; | 92.7% |
| Conditions | Yield |
|---|---|
| With hydrogen at 200℃; under 7500.75 Torr; for 24h; Microwave irradiation; | A 92% B n/a |
| Conditions | Yield |
|---|---|
| With dilithium tetrachlorocuprate In tetrahydrofuran; diethyl ether at -56℃; for 3h; | 91% |
| Conditions | Yield |
|---|---|
| With C31H37ClN3NiO2(1-)*Li(1+) In tetrahydrofuran at 25℃; for 0.333333h; Inert atmosphere; Overall yield = 99.6 %; | A 9% B 90.6% |
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Chemistry
CAS: 629-78-7
EINECS: 211-108-4
Product Categories: Analytical Chemistry ; n-Paraffins (GC Standard) ; Standard Materials for GC ; Acyclic ; Alkanes ; Organic Building Blocks ; Alpha Sort ; E-LAlphabetic;H ; HA-HT ; Volatiles/Semivolatiles ; Alphabetic ; HA-HTChemical Class ; Hydrocarbons ; Neats .
Following is the Molecular Structure of Heptadecane (629-78-7):
SMILES: CCCCCCCCCCCCCCCCC
InChI: InChI=1/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H3
InChIKey: NDJKXXJCMXVBJW-UHFFFAOYAV
Std.InChI: InChI=1S/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H3
Std.InChIKey: NDJKXXJCMXVBJW-UHFFFAOYSA-N
Molecular Formula: C17H36
Molecular Weight: 240.47
Melting Point: 20-22℃(lit.)
Boiling Point: 301.8℃ at 760mmHg
Flash Point: 148.9℃
Molar Volume: 309.1cm3
Density: 0.777g/cm3
Index of Refraction: 1.435
Molar Refractivity: 80.8cm3
Surface Tension: 27.5dyne/cm
Polarizability: 32.03 10-24cm3
Enthalpy of Vaporization: 52.03kJ/mol
Vapour Pressure: 0.00185mmHg at 25℃
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LDLo | intravenous | 9821mg/kg (9821mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) | Acta Pharmacologica et Toxicologica. Vol. 37, Pg. 56, 1975. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Hazard Codes: 
Xn Harmful, Xi Irritant.
Risk Statements: 65-36/37/38
R65: Harmful: May cause lung damage if swallowed.
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 62-36-26
S62: If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label.
S36: Wear suitable protective clothing.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK: Germany 3
RTECS: MI3550000
Mildly toxic by intravenous route.
Specification
Heptadecane (629-78-7) also can be called for Normal-heptadecane ; N-heptadecane ; Alkane C17 ; Heptadecane ; Heptadecane,99% ; Heptadecane,99.5% ; N-heptadecane,1000mg,neat ; Heptadecane,substance for gc . Heptadecane (629-78-7) is a colourless liquid or white solid.When heated to decomposition it emits acrid smoke and irritating vapors.It's flammable and insoluble in water.This chemical is stable but incompatible with strong oxidizing agents.