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2-Heptanone
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Name

2-Heptanone

 EINECS 203-767-1
CAS No. 110-43-0 Density 0.808 g/cm3
PSA 17.07000 LogP 2.15570
Solubility 4.3 g/L (20 °C) in water Melting Point -35 °C
Formula C7H14O Boiling Point 151.2 °C at 760 mmHg
Molecular Weight 114.188 Flash Point 47.2 °C
Transport Information UN 2810 6.1/PG 3 Appearance colorless liquid
Safety 36-24/25 Risk Codes 22-38-40-48-20/22-10
Molecular Structure Molecular Structure of 110-43-0 (2-Heptanone) Hazard Symbols HarmfulXn
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;

Article Data 472

2-Heptanone Synthetic route

52390-72-4, 543-49-7

2-Heptanol

110-43-0

n-pentyl methyl ketone

Conditions
ConditionsYield
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%
133619-36-0

C7H14OS

110-43-0

n-pentyl methyl ketone

Conditions
ConditionsYield
Ambient temperature;100%
Ambient temperature; Yield given;
81979-61-5

2-Methyl-2-pentyl-1,3-dithiolane

110-43-0

n-pentyl methyl ketone

Conditions
ConditionsYield
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%
592-76-7

1-Heptene

110-43-0

n-pentyl methyl ketone

Conditions
ConditionsYield
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%
4352-95-8

2-Heptanone 1,2-ethanediyl acetal

110-43-0

n-pentyl methyl ketone

Conditions
ConditionsYield
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%
123-82-0

2-heptylamine

110-43-0

n-pentyl methyl ketone

Conditions
ConditionsYield
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.
628-71-7

1-Heptyne

110-43-0

n-pentyl methyl ketone

Conditions
ConditionsYield
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%
5609-09-6

trans 3-hepten-2-one

110-43-0

n-pentyl methyl ketone

Conditions
ConditionsYield
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
78465-91-5

2,2'-dimethoxyheptane

110-43-0

n-pentyl methyl ketone

Conditions
ConditionsYield
With water; Nafion-H In acetone for 0.5h;94%
With Bi(1+)*NO3(1-)=BiNO3 In dichloromethane at 20℃; for 2h;78%
5314-31-8

Methyl-pentyl-ketoxim

110-43-0

n-pentyl methyl ketone

Conditions
ConditionsYield
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%

2-Heptanone Chemical Properties

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

2-Heptanone Toxicity Data With Reference

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.

2-Heptanone Consensus Reports

Reported in EPA TSCA Inventory.

2-Heptanone Safety Profile

Hazard Codes: HarmfulXn
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.

2-Heptanone Standards and Recommendations

OSHA PEL: TWA 100 ppm
ACGIH TLV: TWA 50 ppm
NIOSH REL: (Ketones) TWA 465 mg/m3
DOT Classification:  3; Label: Flammable Liquid

2-Heptanone Analytical Methods

For occupational chemical analysis use NIOSH: Ketones II (Desorption in 99:1 CS2:methanol) 1301.

2-Heptanone Specification

  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.

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