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Heptadecane

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Name

Heptadecane

EINECS 211-108-4
CAS No. 629-78-7 Density 0.777 g/mL at 25 °C(lit.)
PSA 0.00000 LogP 6.87770
Solubility N/A Melting Point 21 C
Formula C17H36 Boiling Point 302 C
Molecular Weight 240.473 Flash Point 148 C (closed cup)
Transport Information N/A Appearance colourless liquid or white solid
Safety Mildly toxic by intravenous route. When heated to decomposition it emits acrid smoke and irritating vapors. Risk Codes R65; R36/37/38
Molecular Structure Molecular Structure of 629-78-7 (n-Heptadecane) Hazard Symbols Xn,Xi
Synonyms

NSC 172782;n-Heptadecane

Article Data 123

Heptadecane Synthetic route

638-66-4

n-Octadecanal

A

629-78-7

hepatdecane

B

201230-82-2

carbon monoxide

Conditions
ConditionsYield
With silicon nanowire array-supported rhodium nanoparticle catalyst at 150℃; under 750.075 Torr; for 24h; Inert atmosphere;A 99%
B n/a
112-80-1

cis-Octadecenoic acid

A

629-78-7

hepatdecane

B

201230-82-2

carbon monoxide

Conditions
ConditionsYield
With hydrogen at 200℃; under 7500.75 Torr; for 24h; Microwave irradiation;A 98%
B n/a
57-11-4

stearic acid

629-78-7

hepatdecane

Conditions
ConditionsYield
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℃;
112-80-1

cis-Octadecenoic acid

629-78-7

hepatdecane

Conditions
ConditionsYield
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
57-11-4

stearic acid

A

629-78-7

hepatdecane

B

201230-82-2

carbon monoxide

Conditions
ConditionsYield
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
ConditionsYield
With lithium In diethyl ether; ethanol; ammonia at -32℃; for 2h;93%
With lithium In diethyl ether; ethanol; ammonia at -33℃; for 3h;93%
112-92-5

1-octadecanol

57-11-4

stearic acid

629-78-7

hepatdecane

Conditions
ConditionsYield
With methanol In water at 330℃; for 1h; Catalytic behavior;92.7%
60-33-3

linoleic acid

A

629-78-7

hepatdecane

B

201230-82-2

carbon monoxide

Conditions
ConditionsYield
With hydrogen at 200℃; under 7500.75 Torr; for 24h; Microwave irradiation;A 92%
B n/a
2234-82-4

1-propylmagnesium chloride

157999-26-3

myristyl triflate

629-78-7

hepatdecane

Conditions
ConditionsYield
With dilithium tetrachlorocuprate In tetrahydrofuran; diethyl ether at -56℃; for 3h;91%
67-66-3

chloroform

38841-98-4

n-octylmagnesium chloride

A

111-84-2

nonane

B

629-78-7

hepatdecane

Conditions
ConditionsYield
With C31H37ClN3NiO2(1-)*Li(1+) In tetrahydrofuran at 25℃; for 0.333333h; Inert atmosphere; Overall yield = 99.6 %;A 9%
B 90.6%

Heptadecane Chemical Properties

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℃

Heptadecane 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.

Heptadecane Consensus Reports

Reported in EPA TSCA Inventory.

Heptadecane 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.

Heptadecane 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.

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