CAS No.66-25-1,Hexanal Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	66-25-1
Name:	Hexanal
Article Data:	514

Formula:	C₆H₁₂O
Molecular Weight:	100.161
Synonyms:	Caproaldehyde;Caproic aldehyde;Capronaldehyde;Hexaldehyde;Hexanaldehyde;Hexylaldehyde;NSC 2596;n-Caproaldehyde;n-Capronaldehyde;n-Hexanal;n-Hexylaldehyde;
EINECS:	200-624-5
Density:	0.801 g/cm³
Melting Point:	-56 °C
Boiling Point:	127.9 °C at 760 mmHg
Flash Point:	26.2 °C
Solubility:	4.8 g/L (20 °C) in water
Appearance:	liquid
Hazard Symbols:	Xi
Risk Codes:	10
Safety:	37/39-26-16
Transport Information:	UN 1207 3/PG 3
PSA:	17.07000
LogP:	1.76560

Synthetic route

: 111-27-3
hexan-1-ol

: 66-25-1
hexanal

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%

: 3658-93-3
1,1-diethoxyhexane

: 66-25-1
hexanal

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%

: 1599-47-9
1,1-dimethoxyhexane

: 66-25-1
hexanal

Conditions

Conditions	Yield
With water In tetrahydrofuran; diethyl ether at 80℃; under 6000.6 Torr; Inert atmosphere; Autoclave;	100%

: 142-62-1
hexanoic acid

: 66-25-1
hexanal

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%

: 6728-26-3
(E)-2-Hexenal

: 66-25-1
hexanal

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.

: 111-27-3
hexan-1-ol

A: 6378-65-0
n-hexyl caproate

B: 66-25-1
hexanal

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%

Raw Materials

142-83-6

112-63-0

693-02-7

Downstream Products

820-29-1

506-32-1

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Chemistry

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)

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.

Consensus Reports

1-HEXANAL is reported in EPA TSCA Inventory.

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.

Standards and Recommendations

DOT Classification: 3; Label: Flammable Liquid

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.