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Cas Database |
| Name |
1-Hexadecene |
EINECS | 248-131-4 |
| CAS No. | 629-73-2 | Density | 0.779 g/cm3 |
| PSA | 0.00000 | LogP | 6.26360 |
| Solubility | N/A | Melting Point |
3-5 °C(lit.) |
| Formula | C16H32 | Boiling Point | 284.8 °C at 760 mmHg |
| Molecular Weight | 224.43 | Flash Point | 132.2 °C |
| Transport Information | N/A | Appearance | clear colorless liquid |
| Safety | 23-24/25 | Risk Codes | 38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| 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; |
Article Data | 90 |
1-Hexadecene Synthetic route
| Conditions | Yield |
|---|---|
| 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. |
| Conditions | Yield |
|---|---|
| With n-butyllithium; lithium iodide In tetrahydrofuran; hexane Ambient temperature; | 92% |
| Conditions | Yield |
|---|---|
| With chloro-trimethyl-silane; mercury; zinc In diethyl ether for 17h; Heating; Yields of byproduct given; | A 86% B n/a |
| Conditions | Yield |
|---|---|
| With [CuCl(ClIPr)]; sodium t-butanolate; tert-butyl alcohol In tetrahydrofuran; hexane at 40℃; for 20h; Inert atmosphere; chemoselective reaction; | 86% |
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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) |
| Conditions | Yield |
|---|---|
| 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% |
| Conditions | Yield |
|---|---|
| With chloro-trimethyl-silane; mercury; zinc In diethyl ether for 20h; Heating; Yields of byproduct given; | A 62% B n/a |
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| With P, S at 171 - 180℃; for 6h; Product distribution; | A 26.6% B 24.5% C 39.2% |
1-Hexadecene Chemical Properties
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
1-Hexadecene 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 Safety Profile
Hazard Codes: 
Xi
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
1-Hexadecene 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.
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