Heptadecane supplier | CasNO.629-78-7

Name
n-Heptadecane
EINECS 211-108-4
CAS No. 629-78-7
Article Data123
CAS DataBase
Density 0.777 g/mL at 25 °C(lit.)
Solubility
Melting Point 21 C
Formula C17H36
Boiling Point 302 C
Molecular Weight 240.473
Flash Point 148 C (closed cup)
Transport Information
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
Hazard Symbols Xn,Xi
Synonyms NSC 172782;n-Heptadecane
PSA 0.00000
LogP 6.87770

Synthetic route

: 638-66-4
n-Octadecanal

A: 629-78-7
hepatdecane

B: 201230-82-2
carbon monoxide

Conditions

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

: 112-80-1
cis-Octadecenoic acid

A: 629-78-7
hepatdecane

B: 201230-82-2
carbon monoxide

Conditions

Conditions	Yield
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

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℃;

: 112-80-1
cis-Octadecenoic acid

: 629-78-7
hepatdecane

Conditions

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

: 57-11-4
stearic acid

A: 629-78-7
hepatdecane

B: 201230-82-2
carbon monoxide

Conditions

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

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%

: 112-92-5
1-octadecanol

: 57-11-4
stearic acid

: 629-78-7
hepatdecane

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

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%

...Expand

: 68792-54-1
1,3-dioxoisoindolin-2-yl stearate

: 629-78-7
hepatdecane

Conditions

Conditions	Yield
With diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate In N,N-dimethyl acetamide at 25℃; for 24h; Inert atmosphere; Schlenk technique; Irradiation; Green chemistry;	88%

: 112-80-1
cis-Octadecenoic acid

A: 629-78-7
hepatdecane

B: 57-11-4
stearic acid

Conditions

Conditions	Yield
Pt/Sn/C Product distribution / selectivity;	A 85% B 5.9%
With glycerol In water at 25 - 300℃; under 10351 Torr; Kinetics; Mechanism; Reagent/catalyst; Inert atmosphere;	A 24% B 75%
With 5% platinum on carbon; water at 330℃; for 1.5h; Autoclave;	A 9.2% B 36.1%
With palladium on activated carbon; glycerol In water at 250℃; for 20h; Catalytic behavior;

: 112-80-1
cis-Octadecenoic acid

A: 629-78-7
hepatdecane

B: 593-45-3
octadecane

Conditions

Conditions	Yield
With hydrogen In hexane at 290℃; under 22502.3 Torr; for 6h; Temperature;	A 12% B 83%
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;
With 1 wt percent Pt/cobalt-based zeolitic imidazolate framework-8/zeolite 5A at 320℃; under 15001.5 Torr; for 2h;
With hydrogen In dodecane at 280℃; under 30003 Torr; for 8h; Autoclave;	A 71.8 %Chromat. B 21.9%Chromat.

: 60-33-3
linoleic acid

: 629-78-7
hepatdecane

Conditions

Conditions	Yield
With platinum on activated charcoal In ethanol; water at 350℃; under 165017 Torr; for 6h; Activation energy; Temperature; Pressure; Solvent; Reagent/catalyst; High pressure; Autoclave;	83%

: 75-09-2
dichloromethane

: 38841-98-4
n-octylmagnesium chloride

A: 124-11-8
non-1-ene

B: 629-78-7
hepatdecane

Conditions

Conditions	Yield
With C31H37ClN3NiO2(1-)*Li(1+) In tetrahydrofuran at 25℃; for 0.333333h; Inert atmosphere; Overall yield = 95 %;	A 82% B 13%

...Expand

: 112-61-8
Methyl stearate

A: 629-78-7
hepatdecane

B: 201230-82-2
carbon monoxide

Conditions

Conditions	Yield
With hydrogen In water at 200℃; under 7500.75 Torr; for 48h; Microwave irradiation;	A 79% B n/a

: 56-23-5
tetrachloromethane

: 38841-98-4
n-octylmagnesium chloride

A: 9,9-dioctylheptadecane

B: 111-84-2
nonane

C: 629-78-7
hepatdecane

Conditions

Conditions	Yield
With C31H37ClN3NiO2(1-)*Li(1+) In tetrahydrofuran at 25℃; for 0.333333h; Inert atmosphere; Overall yield = 96.8 %;	A 6.2% B 12.6% C 76%

...Expand

: 1211417-77-4
(1,3-dimethylimidazol-2-ylidene)borane

: 2-methyl-4-phenylbut-3-yn-2-yl stearate

A: 629-78-7
hepatdecane

B: (1,3-dimethyl-1H-imidazol-3-ium-2-yl)(2,2-dimethyl-5-oxo-4-phenyl-2,5-dihydrofuran-3-yl)dihydroborate

Conditions

Conditions	Yield
With di-tert-butyl peroxide In benzene at 120℃; for 9h; Sealed tube;	A 70% B n/a

...Expand

: 57-11-4
stearic acid

A: 112-92-5
1-octadecanol

B: 629-78-7
hepatdecane

C: 593-45-3
octadecane

Conditions

Conditions	Yield
With hydrogen In decane at 160℃; under 30003 Torr; for 4h; Temperature; Autoclave;	A n/a B n/a C 68.39%
With hydrogen In dodecane at 289.84℃; under 6000.6 Torr; for 4h; Autoclave;
With hydrogen In cyclohexane at 179.84℃; under 15001.5 Torr; for 1h; Reagent/catalyst; Pressure; Sealed tube;

...Expand

: 143-28-2
oleyl alcohol

: 629-78-7
hepatdecane

Conditions

Conditions	Yield
With chlorobis(cyclooctene)-iridium(I) dimer; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; lithium chloride In water; 1,3,5-trimethyl-benzene at 170℃; for 16h; Schlenk technique; Inert atmosphere;	68%

: 57-11-4
stearic acid

A: 629-78-7
hepatdecane

B: 593-45-3
octadecane

Conditions

Conditions	Yield
With hydrogen In dodecane at 260℃; under 30003 Torr; for 1h; Catalytic behavior; Reagent/catalyst;	A 9% B 65%
With hydrogen In decane at 200℃; under 30003 Torr; for 4h; Autoclave;	A 13.72% B n/a
With hydrogen In dodecane at 260℃; under 30003 Torr; Reagent/catalyst; Inert atmosphere; Autoclave;

: 693-58-3
1-Bromononane

: 38841-98-4
n-octylmagnesium chloride

A: 111-84-2
nonane

B: 124-11-8
non-1-ene

C: 111-66-0
oct-1-ene

D: 629-78-7
hepatdecane

Conditions

Conditions	Yield
Stage #1: n-octylmagnesium chloride With copper(l) chloride In tetrahydrofuran at 20℃; for 0.0833333h; Schlenk technique; Inert atmosphere; Stage #2: 1-Bromononane at 20℃; for 0.166667h; Schlenk technique; Inert atmosphere;	A 64% B 30% C 57% D 6%

...Expand

: 57-11-4
stearic acid

A: 112-92-5
1-octadecanol

B: 629-78-7
hepatdecane

Conditions

Conditions	Yield
With hydrogen at 200℃; under 30003 Torr; for 4h; Reagent/catalyst; Autoclave; Green chemistry;	A 41.1% B 29.3%
With hydrogen In dodecane at 269.84℃; under 6000.6 Torr; for 4h; Reagent/catalyst; Temperature; Autoclave;
With hydrogen In dodecane at 320℃; under 30003 Torr; for 8h; Autoclave;	A 15.8 %Chromat. B 5.1 %Chromat.

: 57-11-4
stearic acid

A: 629-78-7
hepatdecane

B: 6765-39-5
heptadec-1-ene

C: 14167-59-0
n-tetratriacontane

Conditions

Conditions	Yield
With potassium methanolate In methanol at 40 - 45℃; electrolysis: anode: platinum foil; current source: galvanostat; current density 200 mA cm-2; current consumption: 0.58 F mol-1; cell voltage 60-110 V;	A 6% B 6% C 34%

...Expand

: 89025-52-5
1-(pyridine-2-thiyl)heptadecane

: 629-78-7
hepatdecane

Conditions

Conditions	Yield
With tri-n-butyl-tin hydride; 2,2'-azobis(isobutyronitrile) In toluene at 110℃; for 6h; adding 15 min;	26%
With tri-n-butyl-tin hydride In toluene at 110℃; for 6h; Product distribution; Mechanism; investigation of reduction of primary-, secondary- and tertiary alkylpyridyl sulphides in different solvents, at various temperatures and time;	26%

: 112-92-5
1-octadecanol

: 629-78-7
hepatdecane

Conditions

Conditions	Yield
With hydrogen; nickel at 250℃; under 73550.8 - 147102 Torr;
With nickel at 250℃; under 154457 Torr; Hydrogenation;
With hydrogen In dodecane at 260℃; under 30003 Torr; for 2h; Kinetics; Reagent/catalyst;
With methanol In water at 330℃; for 1h; Catalytic behavior;
With hydrogen In dodecane at 280℃; under 30003 Torr; for 8h; Autoclave;	43.1 %Chromat.

: 2922-51-2
heptadecan-2-one

: 629-78-7
hepatdecane

Conditions

Conditions	Yield
With hydrogenchloride; amalgamated zinc; acetic acid
With phosphorus pentachloride und erhitzen des Reaktionsprodukts mit Jodwasserstoffsaeure und Phosphor;
With amalgamated zinc in wss.-aethanol. HCl;

: 26825-83-2
1-iodoheptadecane

: 629-78-7
hepatdecane

Conditions

Conditions	Yield
With acetic acid; zinc

: 6765-39-5
heptadec-1-ene

: 629-78-7
hepatdecane

Conditions

Conditions	Yield
With platinum(IV) oxide; cyclohexane Hydrogenation;

: 2726-73-0
1,12-octadecanediol

: 629-78-7
hepatdecane

Conditions

Conditions	Yield
With hydrogen; nickel at 250℃; under 73550.8 - 147102 Torr;

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.

Product Name

n-Heptadecane

Synthetic route

Heptadecane Chemical Properties

Heptadecane Toxicity Data With Reference

Heptadecane Consensus Reports

Heptadecane Safety Profile

Heptadecane Specification

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