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629-73-2

Basic Information
CAS No.: 629-73-2
Name: 1-Hexadecene
Article Data: 90
Molecular Structure:
Molecular Structure of 629-73-2 (1-Hexadecene)
Formula: C16H32
Molecular Weight: 224.43
Synonyms: 1-Cetene;1-n-Hexadecene;Cetene;Dialen 16;LAO-C 16;Linealene 16;NSC 60602;NeoSolv6;Neodene 16;n-Hexadec-1-ene;a-Hexadecene;
EINECS: 248-131-4
Density: 0.779 g/cm3
Melting Point: 3-5 °C(lit.)
Boiling Point: 284.8 °C at 760 mmHg
Flash Point: 132.2 °C
Appearance: clear colorless liquid
Hazard Symbols: IrritantXi
Risk Codes: 38
Safety: 23-24/25
PSA: 0.00000
LogP: 6.26360
Synthetic route
544-77-4

1-iodohexadecane

629-73-2

1-Hexadecene

Conditions
ConditionsYield
With potassium tert-butylate In tetrahydrofuran at 20℃;96%
With sodium t-butanolate In water at 50℃; for 4h; Sealed tube; UV-irradiation;50 %Spectr.
629-72-1

pentadecyl bromide

2181-42-2

trimethylsulphonium iodide

629-73-2

1-Hexadecene

Conditions
ConditionsYield
With n-butyllithium; lithium iodide In tetrahydrofuran; hexane Ambient temperature;92%
4360-57-0

2-pentadecyl-1,3-dioxolane

A

629-73-2

1-Hexadecene

B

(1R,6S,7R)-7-(4-Chloro-phenyl)-bicyclo[4.1.0]heptane

Conditions
ConditionsYield
With chloro-trimethyl-silane; mercury; zinc In diethyl ether for 17h; Heating; Yields of byproduct given;A 86%
B n/a
629-74-3

hexadec-1-yne

629-73-2

1-Hexadecene

Conditions
ConditionsYield
With [CuCl(ClIPr)]; sodium t-butanolate; tert-butyl alcohol In tetrahydrofuran; hexane at 40℃; for 20h; Inert atmosphere; chemoselective reaction;86%
506-12-7

heptadecanoic acid

629-73-2

1-Hexadecene

Conditions
ConditionsYield
With bis(triphenylphosphine)iridium(I) carbonyl chloride; acetic anhydride; potassium iodide at 160℃; for 5h; Inert atmosphere;84%
With carbon monoxide; 1,5-bis-(diphenylphosphino)pentane; acetic anhydride; potassium iodide; iron(II) chloride at 240℃; under 15201 Torr; for 3h;76%
63758-87-2

1,2-dibromohexadecane

629-73-2

1-Hexadecene

Conditions
ConditionsYield
With disodium telluride In ethanol Product distribution; Ambient temperature; study of the stereoselective debromination of various vicinal dibromoalkanes with sodium telluride, prepared from tellurium and Rongalite in aq. alkaline medium;82%
With bis(4-methoxyphenyl)telluride In benzene Product distribution; Irradiation;70 (unit not given)
112-82-3

hexadecanyl bromide

B

629-73-2

1-Hexadecene

Conditions
ConditionsYield
With bis(triphenylphosphine)nickel(II) chloride; n-butyllithium; 1,8-diazabicyclo[5.4.0]undec-7-ene; triphenylphosphine In tetrahydrofuran; hexane Ambient temperature;A 20%
B 77%
2791-29-9

cetyladehyde dimethyl acetal

A

629-73-2

1-Hexadecene

B

(1R,6S,7R)-7-(4-Chloro-phenyl)-bicyclo[4.1.0]heptane

Conditions
ConditionsYield
With chloro-trimethyl-silane; mercury; zinc In diethyl ether for 20h; Heating; Yields of byproduct given;A 62%
B n/a
544-77-4

1-iodohexadecane

A

544-76-3

Hexadecane

B

629-73-2

1-Hexadecene

C

544-85-4

n-dotriacontane

Conditions
ConditionsYield
With tetrabutylammonium tetrafluoroborate In N,N-dimethyl-formamide Electrochemical reaction; Inert atmosphere;A 27%
B 42%
C 27%
36653-82-4

1-Hexadecanol

A

3312-77-4

dihexadecyl sulfide

B

2917-26-2

16-mercaptohexadecanoate

C

629-73-2

1-Hexadecene

Conditions
ConditionsYield
With P, S at 171 - 180℃; for 6h; Product distribution;A 26.6%
B 24.5%
C 39.2%
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Chemistry

IUPAC Name: Hexadec-1-ene 
Following is the structure of 1-Hexadecene (CAS NO.629-73-2):
                        
Empirical Formula: C16H32
Molecular Weight: 224.4253 g/mol
EINECS: 208-878-9
Index of Refraction: 1.44
Molar Refractivity: 75.9 cm3
Molar Volume: 287.7 cm3
Density: 0.779 g/cm3
Flash Point: 132.2 °C
Melting point: 3-5 °C(lit.)
Surface Tension: 27.2 dyne/cm
Enthalpy of Vaporization: 50.28 kJ/mol
Boiling Point: 284.8 °C at 760 mmHg
Vapour Pressure: 0.00499 mmHg at 25 °C
Product Categories of 1-Hexadecene (CAS NO.629-73-2): 1-Olefins (GC Standard);Analytical Chemistry; Standard Materials for GC
Water Solubility of 1-Hexadecene (CAS NO.629-73-2): 1.23E-03 mg/L at 25 °C
Appearance of 1-Hexadecene (CAS NO.629-73-2): clear colorless liquid
Canonical SMILES: CCCCCCCCCCCCCCC=C
InChI: InChI=1S/C16H32/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3H,1,4-16H2,2H3
InChIKey: GQEZCXVZFLOKMC-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD skin > 10gm/kg (10000mg/kg) SKIN AND APPENDAGES (SKIN): HAIR: OTHER National Technical Information Service. Vol. OTS0535205,
rat LC inhalation > 8500mg/m3/1H (8500mg/m3)   National Technical Information Service. Vol. OTS0535205,
rat LD oral > 10gm/kg (10000mg/kg)   National Technical Information Service. Vol. OTS0535205,
 1-Hexadecene (CAS NO.629-73-2) hasn't been listed as a carcinogen by ACGIH, IARC, NTP, or CA Prop 65. And the toxicological properties have not been fully investigated. You can see actual entry in RTECS for complete information.

Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 38 
R38:Irritating to skin.
Safety Statements: 23-24/25 
S23:Do not breathe vapour. 
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3
RTECS: MM0479000

Specification

 1-Hexadecene , its cas register number is 629-73-2. It also can be called (5-Aminobenzo[d]isoxazol-3-yl)carbamic acid tert-butyl ester ;  1-Cetene ; 1-n-Hexadecene ; Cetene ; Cetylene ; Dialene 16 ; Gulftene 16 ; Hexadecylene-1 ; alpha-Hexadecene ; alpha-Hexadecylene ; and n-Hexadec-1-ene .
 1-Hexadecene (CAS NO.629-73-2) is hazardous, so the first aid measures and others should be known. Such as: When on the skin: first, should flush skin with plenty of water immediately for at least 15 minutes while removing contaminated clothing. Secondly, get medical aid. Or in the eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Then get medical aid soon. While, it's inhaled: Remove from exposure and move to fresh air immediately. Give artificial respiration while not breathing. When breathing is difficult, give oxygen. And as soon as to get medical aid. Then you have the ingesting of the product : Wash mouth out with water, and get medical aid immediately.
 1-Hexadecene (CAS NO.629-73-2) could be stable under normal temperatures and pressures. It should avoid the condition like incompatible materials. It is not compatible with strong oxidizing agents, chlorates, nitrates, peroxides. And also prevent it to broken down into hazardous decomposition products: carbon monoxide, carbon dioxide. However, its hazardous polymerization will not occur. In addition, it should be stored in a cool, dry place, or stored in a tightly closed container.