CAS No.110-43-0,2-Heptanone Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	110-43-0
Name:	2-Heptanone
Article Data:	472

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

Synthetic route

: 52390-72-4, 543-49-7
2-Heptanol

: 110-43-0
n-pentyl methyl ketone

Conditions

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%

: 133619-36-0
C7H14OS

: 110-43-0
n-pentyl methyl ketone

Conditions

Conditions	Yield
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

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%

: 592-76-7
1-Heptene

: 110-43-0
n-pentyl methyl ketone

Conditions

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%

: 4352-95-8
2-Heptanone 1,2-ethanediyl acetal

: 110-43-0
n-pentyl methyl ketone

Conditions

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%

: 123-82-0
2-heptylamine

: 110-43-0
n-pentyl methyl ketone

Conditions

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.

: 628-71-7
1-Heptyne

: 110-43-0
n-pentyl methyl ketone

Conditions

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%

: 5609-09-6
trans 3-hepten-2-one

: 110-43-0
n-pentyl methyl ketone

Conditions

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

: 78465-91-5
2,2'-dimethoxyheptane

: 110-43-0
n-pentyl methyl ketone

Conditions

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%

: 5314-31-8
Methyl-pentyl-ketoxim

: 110-43-0
n-pentyl methyl ketone

Conditions

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%

Raw Materials

628-71-7

110-53-2

592-78-9

Downstream Products

616-06-8

997-69-3

592-76-7

1068-19-5

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Chemistry

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

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.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Hazard Codes: Harmful 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.

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

Analytical Methods

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

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.