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Cas Database |
| Name |
Octanal |
EINECS | 204-683-8 |
| CAS No. | 124-13-0 | Density | 0.821 g/cm3 |
| PSA | 17.07000 | LogP | 2.54580 |
| Solubility | Slightly soluble in water | Melting Point |
12-15 °C(lit.) |
| Formula | C8H16O | Boiling Point | 194.665 °C at 760 mmHg |
| Molecular Weight | 128.214 | Flash Point | 81.111 °C |
| Transport Information | UN 1191 3/PG 3 | Appearance | liquid |
| Safety | 16 | Risk Codes | 10 |
| Molecular Structure |
|
Hazard Symbols | R10:; |
| Synonyms |
AldehydeC 8;Antifoam LF;Caprylaldehyde;Caprylic aldehyde;NSC 1508;NSC 8969;Octaldehyde;Octanaldehyde;Octanoic aldehyde;Octylaldehyde;n-Caprylaldehyde;n-Octaldehyde;n-Octanal;n-Octyl aldehyde;n-Octylal; |
Article Data | 514 |
Octanal Synthetic route
| Conditions | Yield |
|---|---|
| With methanesulfonic acid; tributylphosphine; copper; zinc In acetonitrile for 1h; Product distribution; Ambient temperature; reactions of other acid chlorides; solvent-effect; effect of var. metals; | 100% |
| With tri-n-butyl-tin hydride In 1-methyl-pyrrolidin-2-one at 20℃; Inert atmosphere; | 96% |
| With pumice stone; platinum at 195℃; under 80 - 90 Torr; Hydrogenation; |
- 155127-38-1
((E)-4-Oct-1-enyl)-morpholine
- 124-13-0
Octanal
| Conditions | Yield |
|---|---|
| With aq. acid for 1h; Ambient temperature; | 100% |
- 59092-72-7
2-heptyl-[1,3]dithiane
- 124-13-0
Octanal
| Conditions | Yield |
|---|---|
| With silica gel; ferric nitrate In hexane at 50℃; for 0.166667h; | 100% |
| With silica gel; copper(II) nitrate In tetrachloromethane for 0.416667h; Ambient temperature; | 98% |
| With dihydrogen peroxide; tantalum pentachloride; sodium iodide In water; ethyl acetate at 20℃; for 68h; | 85% |
| Conditions | Yield |
|---|---|
| With chromium (VI) oxide In toluene for 0.416667h; microwave irradiation; | 99% |
| With N-chloro-succinimide; N-(phenylthio)-N-(tert-butyl)amine; potassium carbonate; 4 A molecular sieve In dichloromethane at 20℃; for 3h; | 99% |
| With 2,2,6,6-tetramethyl-piperidine-N-oxyl; oxygen; copper(I) bromide dimethylsulfide complex In chlorobenzene at 80℃; for 8h; | 99% |
- 111-87-5
octanol
- 33524-31-1
2,5-dimethoxybenzyl alcohol
A
- 124-13-0
Octanal
B
- 93-02-7
2,5-dimethoxybenzaldehyde
| Conditions | Yield |
|---|---|
| With air; potassium carbonate at 20℃; for 16h; | A 2% B 99% |
- 93215-67-9
octanal 1,3-dithiolane
- 124-13-0
Octanal
| Conditions | Yield |
|---|---|
| With silica gel; copper(II) nitrate In tetrachloromethane for 0.25h; Ambient temperature; | 98% |
| With silica gel; ferric nitrate In hexane at 50℃; for 0.166667h; | 96% |
| With bismuth(III) nitrate; water In benzene at 20℃; for 4h; | 98 % Chromat. |
| Conditions | Yield |
|---|---|
| With (acetylacetonato)dicarbonylrhodium (l); C43H53O8P; hydrogen In toluene under 37503.8 Torr; for 12h; Catalytic behavior; regioselective reaction; | 97.1% |
| With Ca8(PO4)3.5(HPO4)2.5(OH)0.5; hydrogen; Rh2(μ-S-t-Bu)2(CO)2(P(C6H4SO3Na)3)2 In toluene at 80℃; under 3750.38 Torr; for 3h; Product distribution; Further Variations:; Reagents; hydration rate of reagent; | 93% |
| Conditions | Yield |
|---|---|
| With silica gel; copper(II) nitrate In tetrachloromethane for 1.66667h; Heating; | 97% |
| With ammonium peroxydisulfate; Montmorillonite K10; silver nitrate In hexane at 50℃; for 2.5h; | 94% |
| With water; Dess-Martin periodane In dichloromethane at 5℃; for 0.5h; | 92% |
- 69873-64-9
4-methyl-N'-octylidenebenzene-1-sulfonohydrazide
- 124-13-0
Octanal
| Conditions | Yield |
|---|---|
| With silica gel; copper(II) nitrate In tetrachloromethane for 2h; Heating; | 97% |
| Conditions | Yield |
|---|---|
| With 5-ethyl-2-methyl-pyridine; 4-acetylamino-2,2,6,6-tetramethylpiperidine-N-oxyl; iodine; sodium hydrogencarbonate In dichloromethane for 1h; Reagent/catalyst; | A 96.6% B 3.4% |
| With 2,2,6,6-tetramethyl-piperidine-N-oxyl; tert.-butylnitrite; oxygen In 1,2-dichloro-ethane under 1500.15 Torr; for 6h; Autoclave; Heating; | A 94% B 1% |
| With water; oxygen at 100℃; under 3750.38 Torr; for 18h; Autoclave; | A 9% B 91% |
Octanal Chemical Properties
MF: C8H16O
MW: 128.21
EINECS: 204-683-8
mp： 12-15 °C(lit.)
bp： 171 °C(lit.)
density： 0.822 g/mL at 20 °C
vapor pressure： 2 mm Hg ( 20 °C)
refractive index： n20/D 1.421(lit.)
FEMA： 2797
Fp： 125 °F
storage temp： 0-6°C
Water Solubility ： slightly soluble
Merck： 14,1766
The structure of Octanal is:
Octanal Uses
Octanal Toxicity Data With Reference
| 1. | skn-rbt 500 mg/24H MLD | FCTXAV Food and Cosmetics Toxicology. 11 (1973),1079. | ||
| 2. | eye-rbt 100 mg MLD | FCTXAV Food and Cosmetics Toxicology. 11 (1973),1079. | ||
| 3. | orl-rat LD50:5630 mg/kg | FCTXAV Food and Cosmetics Toxicology. 11 (1973),95. | ||
| 4. | skn-rbt LD50:6350 mg/kg | FCTXAV Food and Cosmetics Toxicology. 11 (1973),95. |
Octanal Consensus Reports
Octanal Safety Profile
Risk Statements： 10
Safety Statements： 16
RIDADR： UN 1191 3/PG 3
WGK Germany： 2
RTECS： RG7780000
F： 10
HazardClass： 3
PackingGroup： III
Mildly toxic by ingestion and skin contact. A skin and eye irritant. Flammable liquid when exposed to heat, sparks, or flame. Can react with oxidizing materials. To fight fire, use foam, CO2, dry chemical.
Octanal Specification
1、Fire Fighting Measures
General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Will burn if involved in a fire. Flammable liquid and vapor.
Extinguishing Media: In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam. Use agent most appropriate to extinguish fire.
2、Handling and Storage
Handling: Use spark-proof tools and explosion proof equipment. Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep away from heat, sparks and flame.
Storage: Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Keep refrigerated. (Store below 4°C/39°F.)
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