CAS No.124-13-0,Octanal Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	124-13-0
Name:	Octanal
Article Data:	514

Formula:	C₈H₁₆O
Molecular Weight:	128.214
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;
EINECS:	204-683-8
Density:	0.821 g/cm³
Melting Point:	12-15 °C(lit.)
Boiling Point:	194.665 °C at 760 mmHg
Flash Point:	81.111 °C
Solubility:	Slightly soluble in water
Appearance:	liquid
Hazard Symbols:	R10:;
Risk Codes:	10
Safety:	16
Transport Information:	UN 1191 3/PG 3
PSA:	17.07000
LogP:	2.54580

Synthetic route

: 111-64-8
n-octanoic acid chloride

: 124-13-0
Octanal

Conditions

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

Conditions	Yield
With aq. acid for 1h; Ambient temperature;	100%

: 59092-72-7
2-heptyl-[1,3]dithiane

: 124-13-0
Octanal

Conditions

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%

: 111-87-5
octanol

: 124-13-0
Octanal

Conditions

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

Conditions	Yield
With air; potassium carbonate at 20℃; for 16h;	A 2% B 99%

...Expand

: 93215-67-9
octanal 1,3-dithiolane

: 124-13-0
Octanal

Conditions

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.

: 111-66-0
oct-1-ene

: 201230-82-2
carbon monoxide

: 124-13-0
Octanal

Conditions

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%

: 929-55-5
octanal oxime

: 124-13-0
Octanal

Conditions

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

Conditions	Yield
With silica gel; copper(II) nitrate In tetrachloromethane for 2h; Heating;	97%

: 111-87-5
octanol

A: 124-13-0
Octanal

B: 2306-88-9
octyl octylate

Conditions

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%

Raw Materials

124-12-9

929-55-5

75-07-0

629-06-1

Downstream Products

111-86-4

Total:123 Page 1 of 4 1 2 3 4 Next>>

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Chemistry

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:

Uses

Octanal is used commercially as a component in perfumes and in flavor production for the food industry.

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.

Consensus Reports

1-OCTANAL is reported in EPA TSCA Inventory.

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.

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.)