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| CAS No.: | 541-85-5 | |
|---|---|---|
| Name: | 5-METHYL-3-HEPTANONE | |
| Molecular Structure: | ||
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| Formula: | C8H16 O | |
| Molecular Weight: | 128.214 | |
| Synonyms: | (?à)-5-Methyl-3-heptanone;2-Methylbutyl ethyl ketone;3-Methyl-5-heptanone;5-Methyl-3-heptanone;Ethyl2-methylbutyl ketone;NSC 100734; | |
| EINECS: | 208-793-7 | |
| Density: | 0.811g/cm3 | |
| Melting Point: | -56.65°C | |
| Boiling Point: | 159.9°Cat760mmHg | |
| Flash Point: | 43.9°C | |
| Solubility: | 1.92g/L at 19.9℃ | |
| Appearance: | CLEAR LIGHT YELLOW LIQUID | |
| Hazard Symbols: | Narcotic in high concentration. Moderate fire risk. TLV: 25 ppm. | |
| Risk Codes: | 10-36/37 | |
| Safety: | Moderately irritating to skin, eyes, and mucous membranes by inhalation and ingestion. Narcotic in high concentration. Flammable liquid when exposed to heat, sparks, or flame. When heated to decomposition it emits acrid smoke. To fight fire, use foam, CO2, dry chemical. See also KETONES. | |
Analytical Methods: | For occupational chemical analysis use NIOSH: Ketones II (Desorption in 99:1 CS2:methanol) 1301. |
|
| PSA: | 17.07000 | |
| LogP: | 2.40170 | |
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- 133619-41-7, 133619-45-1
C8H16OS
- 541-85-5
5-methyl-3-heptanone
| Conditions | Yield |
|---|---|
| Ambient temperature; | 100% |
| Conditions | Yield |
|---|---|
| A n/a B 75% | |
| In diethyl ether at 0℃; for 4.5h; | A 18% B 75% |
| Conditions | Yield |
|---|---|
| In o-xylene at 144℃; for 24h; | A 14% B 60% |
| Conditions | Yield |
|---|---|
| With platinum Hydrogenation; |
- 18830-90-5
3-oxo-5-methyl-1-heptene
- 541-85-5
5-methyl-3-heptanone
| Conditions | Yield |
|---|---|
| With platinum Hydrogenation; |
- 18720-65-5
5-methyl-3-heptanol
- 541-85-5
5-methyl-3-heptanone
| Conditions | Yield |
|---|---|
| With potassium dichromate; sulfuric acid | |
| With pyridine; chlorine In chloroform |
| Conditions | Yield |
|---|---|
| With platinum Hydrogenation; |
| Conditions | Yield |
|---|---|
| With aluminum oxide; copper(II) oxide; zinc(II) oxide at 274 - 280℃; under 14710.2 Torr; |
| Conditions | Yield |
|---|---|
| With aluminum oxide; copper oxide-aluminium oxide at 285℃; under 12503.6 Torr; |
| Conditions | Yield |
|---|---|
| With barium(II) oxide durch Reduktion des entstehenden 'Homomesityloxyds' mit Wasserstoff in Gegenwart von Platinoxyd in Alkohol unter Druck; | |
| With hydrogen In water at 349.84℃; under 3750.38 Torr; Autoclave; |
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Consensus Reports
Reported in EPA TSCA Inventory.
Standards and Recommendations
OSHA PEL: TWA 25 ppm
ACGIH TLV: TWA 25 ppm
DOT Classification: 3; Label: Flammable Liquid
Analytical Methods
For occupational chemical analysis use NIOSH: Ketones II (Desorption in 99:1 CS2:methanol) 1301.
Specification
1. Introduction of 3-Heptanone, 5-methyl-
3-Heptanone, 5-methyl- is colorless liquid with a pungent odor. The IUPAC NAME of it is 5-Methylheptan-3-one.
2. Properties of 3-Heptanone, 5-methyl-
RTECS: MJ7350000
Molecular Formula: C8H16O
Molecular Weight: 128.21 g/mol
Density: 0.811 g/cm3
Flash Point: 43.9 °C
Boiling Point: 159.9 °C at 760 mmHg
The chemical synonymous of Ethyl amyl ketone (541-85-5) are 2-Methylbutylethylketone ; 3-Heptanone,5-methyl- ; 5-methyl-3-heptanon ; 5-Methylheptan-3-one ; 5-Methylheptan-3-one ; 5-Methylheptanone-(3) ; Ethyl Sec-Amyl Ketone ; Ethylsec-amylketone
3. Structure Descriptors of 3-Heptanone, 5-methyl-
InChI=1S/C8H16O/c1-4-7(3)6-8(9)5-2/h7H,4-6H2,1-3H3
InChIKey: PSBKJPTZCVYXSD-UHFFFAOYSA-
4. Toxicity of 3-Heptanone, 5-methyl-
| 1. | skn-rbt 500 mg MLD | SCCUR* Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583) | ||
| 2. | orl-rat LD50:3500 mg/kg | SCCUR* Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583) | ||
| 3. | ihl-rat LCLo:3484 ppm/8H | SCCUR* Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583) | ||
| 4. | orl-mus LD50:3800 mg/kg | SCCUR* Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583) | ||
| 5. | ihl-mus LCLo:3484 ppm/4H | SCCUR* Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583) | ||
| 6. | orl-gpg LD50:2500 mg/kg | BCPCA6 Biochemical Pharmacology. 16 (1967),631. |
Moderately irritating to skin, eyes, and mucous membranes by inhalation and ingestion. Narcotic in high concentration. Flammable liquid when exposed to heat, sparks, or flame. When heated to decomposition it emits acrid smoke. To fight fire, use foam, CO2, dry chemical. See also KETONES.
Hazard Codes:Xi: Irritant
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Risk Statements about 3-Heptanone, 5-methyl-:
R10 Flammable.
R36/37: Irritating to eyes and respiratory system.
Safety Statements:
S23 Do not breathe vapour.