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Cas Database |
| Name |
Hexanal |
EINECS | 200-624-5 |
| CAS No. | 66-25-1 | Density | 0.801 g/cm3 |
| PSA | 17.07000 | LogP | 1.76560 |
| Solubility | 4.8 g/L (20 °C) in water | Melting Point |
-56 °C |
| Formula | C6H12O | Boiling Point | 127.9 °C at 760 mmHg |
| Molecular Weight | 100.161 | Flash Point | 26.2 °C |
| Transport Information | UN 1207 3/PG 3 | Appearance | liquid |
| Safety | 37/39-26-16 | Risk Codes | 10 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
Caproaldehyde;Caproic aldehyde;Capronaldehyde;Hexaldehyde;Hexanaldehyde;Hexylaldehyde;NSC 2596;n-Caproaldehyde;n-Capronaldehyde;n-Hexanal;n-Hexylaldehyde; |
Article Data | 514 |
Hexanal Synthetic route
Conditions
| Conditions | Yield |
|---|---|
| With 4 A molecular sieve; tetrabutylammonium periodite; sodium ruthenate(VI) In dichloromethane at 20℃; for 24h; Oxidation; | 100% |
| With 4 A molecular sieve; tetrabutylammonium perchlorate; Ru-Cu-Al-hydrotalcite In toluene at 60℃; for 24h; | 100% |
| With iodosylbenzene; Cl-CH2-PS supported 5-amino-1,10-phenanthroline-Ru In acetonitrile at 60℃; for 2h; | 100% |
Conditions
| Conditions | Yield |
|---|---|
| With water In tetrahydrofuran; diethyl ether at 80℃; under 6000.6 Torr; Inert atmosphere; Autoclave; | 100% |
| With dibromotriphenylphosphorane In dichloromethane at -50℃; for 1h; | 74% |
| With 6C72H112O8*8H2O In chloroform-d1; water for 1h; Inert atmosphere; |
- 64847-81-0
1,1-hexanediol diacetate
- 66-25-1
hexanal
Conditions
| Conditions | Yield |
|---|---|
| With beta zeolite modified with chlorosulphonic acid (28 wtpercent) In ethanol at 50℃; for 0.0833333h; | 100% |
| With ethanol at 50℃; for 0.166667h; chemoselective reaction; | 98% |
| With (NH4)3PW12O40 In methanol at 20℃; for 2h; | 92% |
Conditions
| Conditions | Yield |
|---|---|
| With water In tetrahydrofuran; diethyl ether at 80℃; under 6000.6 Torr; Inert atmosphere; Autoclave; | 100% |
Conditions
| Conditions | Yield |
|---|---|
| With thexylchloroborane-Me2SO4 In dichloromethane for 0.25h; Ambient temperature; | 99% |
| With thexylchloroborane-Me2SO4 In dichloromethane for 0.25h; Product distribution; Ambient temperature; other aliphatic and aromatic acids, other products, other times; | 99% |
| With thexylbromoborane dimethyl sulfide complex In carbon disulfide; dichloromethane at -20 - 20℃; for 1h; | 94% |
- 16577-51-8
hexanoic acid Li-salt
- 66-25-1
hexanal
Conditions
| Conditions | Yield |
|---|---|
| With 9-borabicyclo[3.3.1]nonane dimer In tetrahydrofuran for 1h; Ambient temperature; | 99% |
Conditions
| Conditions | Yield |
|---|---|
| With hydrogen; sodium dodecyl-sulfate; palladium diacetate In tetrahydrofuran; water at 20℃; under 760.051 Torr; for 0.5h; Reagent/catalyst; chemoselective reaction; | 98% |
| With N,N,N,N,N,N-hexamethylphosphoric triamide; diisobutylaluminium hydride In tetrahydrofuran; hexane at 0℃; for 1h; | 89% |
| With hydrogen In isopropyl alcohol at 110℃; under 22502.3 Torr; for 3h; Autoclave; | 35.2% |
- 64214-56-8
N-methoxy-N-methyl hexanamide
- 66-25-1
hexanal
Conditions
| Conditions | Yield |
|---|---|
| With lithium diisobutyl-tert-butoxyaluminum hydride In tetrahydrofuran; hexane at 0℃; Reagent/catalyst; Inert atmosphere; chemoselective reaction; | 97% |
| With benzoic acid ethyl ester; copper diisobutyl-t-butoxyaluminum hydride In tetrahydrofuran at 20℃; for 12h; Inert atmosphere; chemoselective reaction; | 99 %Chromat. |
Conditions
| Conditions | Yield |
|---|---|
| With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; sodium hydrogencarbonate; sodium bromide In dichloromethane; water at 0℃; Electrolysis; Saturated solution; | A n/a B 95% |
| With calcium dichloride dihydrate; oxone; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; water In dichloromethane at 20℃; for 2.5h; Catalytic behavior; Reagent/catalyst; Time; Solvent; Overall yield = 59 %Chromat.; | A 91% B 9% |
| With oxone; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; tetrabutylammomium bromide; water In dichloromethane at 20℃; for 4h; Catalytic behavior; Overall yield = 7 %Chromat.; | A 9% B 52% |
- 26533-34-6
isopropyl amyl carbinol
- 66-25-1
hexanal
Conditions
| Conditions | Yield |
|---|---|
| With lead(IV) acetate; lithium chloride In benzene at 80℃; | 95% |
Hexanal Chemical Properties
MF: C6H12O
MW: 100.16
EINECS: 200-624-5
mp： -56 °C
bp： 130-131 °C(lit.)
density： 0.816 g/mL at 20 °C
vapor density： >1 (vs air)
vapor pressure： 10 mm Hg ( 20 °C)
FEMA： 2557
refractive index： n20/D 1.4035(lit.)
Fp： 90 °F
storage temp： 2-8°C
Water Solubility： 4.8 g/L (20 oC)
Sensitive： Air Sensitive
Merck： 14,1760
BRN： 506198
CAS DataBase Reference： 66-25-1(CAS DataBase Reference)
MW: 100.16
EINECS: 200-624-5
mp： -56 °C
bp： 130-131 °C(lit.)
density： 0.816 g/mL at 20 °C
vapor density： >1 (vs air)
vapor pressure： 10 mm Hg ( 20 °C)
FEMA： 2557
refractive index： n20/D 1.4035(lit.)
Fp： 90 °F
storage temp： 2-8°C
Water Solubility： 4.8 g/L (20 oC)
Sensitive： Air Sensitive
Merck： 14,1760
BRN： 506198
CAS DataBase Reference： 66-25-1(CAS DataBase Reference)
Hexanal Toxicity Data With Reference
| 1. | skn-rbt 500 mg/24H MLD | 85JCAE Prehled Prumyslove Toxikologie; Organicke Latky Marhold, J.,Prague, Czechoslovakia.: Avicenum,1986,272. | ||
| 2. | skn-rbt 14,178 μg/24H open MLD | AIHAAP American Industrial Hygiene Association Journal. 23 (1962),95. | ||
| 3. | eye-rbt 500 mg/24H MLD | 85JCAE Prehled Prumyslove Toxikologie; Organicke Latky Marhold, J.,Prague, Czechoslovakia.: Avicenum,1986,272. | ||
| 4. | orl-rat LD50:4890 mg/kg | AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. 10 (1954),61. | ||
| 5. | ihl-rat LCLo:2000 ppm/4H | AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. 10 (1954),61. |
Hexanal Consensus Reports
1-HEXANAL is reported in EPA TSCA Inventory.
Hexanal Safety Profile
Hazard Codes： Xi
Risk Statements： 10
Safety Statements： 37/39-26-16
RIDADR： UN 1207 3/PG 3
WGK Germany： 1
RTECS： MN7175000
F： 13
Hazard Note： Irritant
HazardClass： 3
PackingGroup： III
Hazardous Substances Data： 66-25-1(Hazardous Substances Data)
Mildly toxic by ingestion and inhalation. An irritant to skin and eyes. Flammable liquid. A dangerous fire hazard when exposed to heat or flame; can react vigorously with oxidizing materials. When heated to decomposition it emits acrid smoke and fumes.
Risk Statements： 10
Safety Statements： 37/39-26-16
RIDADR： UN 1207 3/PG 3
WGK Germany： 1
RTECS： MN7175000
F： 13
Hazard Note： Irritant
HazardClass： 3
PackingGroup： III
Hazardous Substances Data： 66-25-1(Hazardous Substances Data)
Mildly toxic by ingestion and inhalation. An irritant to skin and eyes. Flammable liquid. A dangerous fire hazard when exposed to heat or flame; can react vigorously with oxidizing materials. When heated to decomposition it emits acrid smoke and fumes.
Hexanal Standards and Recommendations
DOT Classification: 3; Label: Flammable Liquid
Hexanal Specification
1、Fire Fighting Measures of Hexanal
General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Vapors can travel to a source of ignition and flash back. Will burn if involved in a fire. Flammable liquid and vapor.
Extinguishing Media: Use foam, dry chemical, or carbon dioxide. Cool containers with flooding quantities of water until well after fire is out.
2、Handling and Storage of Hexanal
Handling: Use with adequate ventilation. Use spark-proof tools and explosion proof equipment. Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage: Keep away from sources of ignition. Store in a cool, dry place. Store in a tightly closed container. Flammables-area.
General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Vapors can travel to a source of ignition and flash back. Will burn if involved in a fire. Flammable liquid and vapor.
Extinguishing Media: Use foam, dry chemical, or carbon dioxide. Cool containers with flooding quantities of water until well after fire is out.
2、Handling and Storage of Hexanal
Handling: Use with adequate ventilation. Use spark-proof tools and explosion proof equipment. Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage: Keep away from sources of ignition. Store in a cool, dry place. Store in a tightly closed container. Flammables-area.
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