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| CAS No.: | 110-43-0 |
|---|---|
| Name: | 2-Heptanone |
| Article Data: | 472 |
| Cas Database | |
| Molecular Structure: | |
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|
|
| Formula: | C7H14O |
| Molecular Weight: | 114.188 |
| Synonyms: | 1-Methylhexanal;2-Oxoheptane;Amyl methyl ketone;Butylacetone;Methyl amyl ketone;Methyln-amyl ketone;Methyl n-pentyl ketone;Methyl pentyl ketone;NSC 7313;Pentylmethyl ketone;n-Amyl methyl ketone;n-Pentyl methyl ketone; |
| EINECS: | 203-767-1 |
| Density: | 0.808 g/cm3 |
| Melting Point: | -35 °C |
| Boiling Point: | 151.2 °C at 760 mmHg |
| Flash Point: | 47.2 °C |
| Solubility: | 4.3 g/L (20 °C) in water |
| Appearance: | colorless liquid |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22-38-40-48-20/22-10 |
| Safety: | 36-24/25 |
| Transport Information: | UN 2810 6.1/PG 3 |
| PSA: | 17.07000 |
| LogP: | 2.15570 |
2-Heptanol
n-pentyl methyl ketone
| Conditions | Yield |
|---|---|
| With tert.-butylhydroperoxide; [O-Cu4(triethanolamine)4(BOH)4][BF4]2 In acetonitrile at 69.84℃; for 7h; | 100% |
| With dihydrogen peroxide; bromine In dichloromethane; water at 20℃; for 2h; | 99% |
| With pyridine In dichloromethane at 20℃; for 5h; | 96% |
C7H14OS
n-pentyl methyl ketone
| Conditions | Yield |
|---|---|
| Ambient temperature; | 100% |
| Ambient temperature; Yield given; |
2-Methyl-2-pentyl-1,3-dithiolane
n-pentyl methyl ketone
| Conditions | Yield |
|---|---|
| With t-butyl bromide; dimethyl sulfoxide at 70 - 75℃; for 4h; | 100% |
| With trimethylsilyl bromide; dimethyl sulfoxide In tetrachloromethane at 75 - 80℃; for 24h; | 95% |
| With thionyl chloride; dihydrogen peroxide In acetonitrile at 25℃; for 0.0333333h; | 92% |
| Conditions | Yield |
|---|---|
| With Pd(II)(15-crown-5-phen)Cl2; dinitrogen monoxide In N,N-dimethyl acetamide; water at 150℃; under 2250.23 Torr; for 18h; | 99% |
| With 2(p-CH2-C6H4CN)2[(CH2)3SO3Na]2-calix[4]arene*PdCl2; oxygen; copper dichloride under 3750.3 Torr; for 2h; Wacker oxidation; | 89% |
| With dihydrogen peroxide In water; acetonitrile at 55℃; for 12h; Wacker Oxidation; | 77% |
| Conditions | Yield |
|---|---|
| With silica gel; iron(III) chloride at 20℃; for 0.0833333h; | 98% |
| With pyridinium chlorochromate at 45℃; for 2.5h; | 91% |
| With thiourea In ethanol; water for 6h; Heating; | 89% |
| With γ-picolinium chlorochromate In dichloromethane at 20℃; for 12h; | 75% |
| Conditions | Yield |
|---|---|
| With zinc dichromate trihydrate at 20℃; grinding; neat (no solvent); chemoselective reaction; | 97% |
| With 3-carboxypyridinium dichromate In acetonitrile at 20℃; for 0h; | 96% |
| With potassium permanganate; iron(II) sulfate In dichloromethane for 5h; Heating; | 86% |
| With potassium permanganate; copper(II) sulfate In dichloromethane for 24h; Heating; | 68 % Chromat. |
| Conditions | Yield |
|---|---|
| With disodium chloro[1,3-bis(2,6-diisopropyl-4-sodiumsulfonatophenyl)imidazol-2-ylidene]gold(I); water at 100℃; for 1.17h; | 96% |
| With C22H20AuN3O2P(1+)*CF3O3S(1-); water; silver trifluoromethanesulfonate; acetic acid at 100℃; for 10h; | 92% |
| With water; trans-Bu4N[Au(2,4,6-C6F5)2Cl2] In methanol for 1.5h; Product distribution; Further Variations:; Catalysts; Heating; | 90% |
| Conditions | Yield |
|---|---|
| With [(COD)Ir(dimethylphenylphosphine)(1,3-bis(2,4,6-trimethylphenyl)imidazolin-2-ylidene)](tetrakis(3,5-bis(trifluoromethyl)phenyl)borate); hydrogen In dichloromethane at -78 - 25℃; under 760.051 Torr; for 2h; chemoselective reaction; | 95% |
| With 1% Pd/C; hydrogen |
2,2'-dimethoxyheptane
n-pentyl methyl ketone
| Conditions | Yield |
|---|---|
| With water; Nafion-H In acetone for 0.5h; | 94% |
| With Bi(1+)*NO3(1-)=BiNO3 In dichloromethane at 20℃; for 2h; | 78% |
| Conditions | Yield |
|---|---|
| With vanadium(III) chloride In tetrahydrofuran for 8h; Ambient temperature; | 92% |
| With phosphotungstic acid; bismuth (III) nitrate pentahydrate at 40 - 45℃; for 0.333333h; | 86% |
| With tert.-butylhydroperoxide In tetrachloromethane for 18h; Heating; | 80% |
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IUPAC Name: heptan-2-one
Empirical Formula: C7H14O
Molecular Weight: 114.1855
EINECS: 203-388-1
Structure of 2-Heptanone (CAS NO.110-43-0):
Index of Refraction: 1.403
Molar Refractivity: 34.5 cm3
Molar Volume: 141.2 cm3
Polarizability: 13.68×10-24cm3
Surface Tension: 24.9 dyne/cm
Density: 0.808 g/cm3
Flash Point: 47.2 °C
Enthalpy of Vaporization: 37.21 kJ/mol
Melting Point: -35 °C
Boiling Point: 151.2 °C at 760 mmHg
Vapour Pressure: 4.73 mmHg at 25°C
Storage temp: Flammables area
Water Solubility: 4.3 g/L (20 ºC)
Stability: Stable. Flammable. Incompatible with strong oxidizing agents, strong reducing agents, strong bases.
Product Categories: Industrial/Fine Chemicals;G-HAlphabetic;HA -HTAnalytical Standards;Alphabetical Listings;H;NMR Reference Standards;NMRStable Isotopes;Spectroscopy;Stable Isotopes
| 1. | skn-rbt 14 mg/24H open MLD | AIHAAP American Industrial Hygiene Association Journal. 23 (1962),95. | ||
| 2. | ipr-rat LD50:800 mg/kg | 38MKAJ Pattys Industrial Hygiene and Toxicology. 2C (1982),4757. | ||
| 3. | orl-rat TDLo:45,500 mg/kg/13W-I | FCTXAV Food and Cosmetics Toxicology. 10 (1972),625. | ||
| 4. | ihl-rat LCLo:4000 ppm/4H | AIHAAP American Industrial Hygiene Association Journal. 23 (1962),95. | ||
| 5. | orl-mus LD50:730 mg/kg | APJUA8 Acta Pharmaceutica Jugoslavica. 12 (1962),79. | ||
| 6. | skn-rbt LD50:12,600 mg/kg | AIHAAP American Industrial Hygiene Association Journal. 23 (1962),95. |
Reported in EPA TSCA Inventory.
Hazard Codes: 
Xn
Risk Statements: 22-38-40-48-20/22-10
R22:Harmful if swallowed.
R38:Irritating to skin.
R40:Limited evidence of a carcinogenic effect.
R48:Danger of serious damage to health by prolonged exposure.
R20/22:Harmful by inhalation and if swallowed.
R10:Flammable.
Safety Statements: 36-24/25
S36:Wear suitable protective clothing.
S24/25:Avoid contact with skin and eyes.
RIDADR: UN 2810 6.1/PG 3
WGK Germany: 2
RTECS: MJ5250000
HazardClass: 3
PackingGroup: III
HS Code: 29141990
Moderately toxic by ingestion. Mildly toxic by inhalation and skin contact. A skin irritant. A flammable liquid when exposed to heat or flame; can react with oxidizing materials. To fight fire, use foam, CO2, dry chemical. When heated to decomposition it emits acrid smoke and fumes. See also KETONES.
OSHA PEL: TWA 100 ppm
ACGIH TLV: TWA 50 ppm
NIOSH REL: (Ketones) TWA 465 mg/m3
DOT Classification: 3; Label: Flammable Liquid
For occupational chemical analysis use NIOSH: Ketones II (Desorption in 99:1 CS2:methanol) 1301.
2-Heptanone , its cas register number is 110-43-0. It also can be called Amyl methyl ketone ; Butylacetone ; Ketone C-7 ;
Ketone, methyl pentyl ; Methyl amyl ketone ; Methyl n-amyl ketone ; Methyl-amyl-cetone ; Methyl-n-amylketone ; Pentyl methyl ketone ; n-Amyl methyl ketone ; n-Pentyl methyl ketone . 2-Heptanone (CAS NO.110-43-0) is a colorless, water-white liquid with a banana-like, fruity odor.
