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2-Pentanone

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Name

2-Pentanone

EINECS 203-528-1
CAS No. 107-87-9 Density 0.796 g/cm3
PSA 17.07000 LogP 1.37550
Solubility soluble in water Melting Point -78 °C
Formula C5H10O Boiling Point 102.7 °C at 760 mmHg
Molecular Weight 86.1338 Flash Point 7.2 °C
Transport Information UN 1249 3/PG 2 Appearance clear colorless liquid with the odor of fingernail polish
Safety 9-16-29-33-37/39-26 Risk Codes 11-22-36/37/38
Molecular Structure Molecular Structure of 107-87-9 (2-Pentanone) Hazard Symbols FlammableF,HarmfulXn
Synonyms

4-Methyl-2-butanone;Ethylacetone;Methyl n-propyl ketone;Methyl propyl ketone;NSC 5350;Propylmethyl ketone;2-Pentanone ( Methyl propyl ketone);

Article Data 456

2-Pentanone Synthetic route

625-33-2

3-penten-2-one

107-87-9

2-Pentanone

Conditions
ConditionsYield
With limonene.; palladium on activated charcoal for 0.25h; Heating;100%
With potassium bis(trimethylsilyl)amide In tetrahydrofuran at 0℃; for 6h;94.2%
With hydrogen; 1,5-hexadienerhodium(I)-chloride dimer In hexane for 3h; Ambient temperature; pH=7.6;71%
6032-29-7

(+/-)-2-pentanol

107-87-9

2-Pentanone

Conditions
ConditionsYield
With sodium dichromate; sulfuric acid; silica gel In dichloromethane at 20℃; for 0.5h;99%
With dihydrogen peroxide In water at 89.84℃; for 5h;98%
With pyridinium chlorochromate In chloroform at 16℃; for 168h; or 1-methyl imidazolium chlorochromate or imidazolium chlorochromate;97%
1569-50-2

3-penten-2-ol

107-87-9

2-Pentanone

Conditions
ConditionsYield
With sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; di(rhodium)tetracarbonyl dichloride In dichloromethane98%
With [Ru(η3:η3-C10H16)Cl2(benzimidazole)] In glycerol at 75℃; for 8h; Sealed tube; Inert atmosphere; Green chemistry;95%
With 2C25H28N2OP(1-)*2Cl(1-)*2Ru(2+) In tetrahydrofuran at 80℃; for 1h; Inert atmosphere; Schlenk technique; Sealed tube;88%
627-19-0

1-Pentyne

107-87-9

2-Pentanone

Conditions
ConditionsYield
With disodium chloro[1,3-bis(2,6-diisopropyl-4-sodiumsulfonatophenyl)imidazol-2-ylidene]gold(I); water at 100℃; for 1.17h;97%
With 1,3-bis{2,6-bis[bis(4-tert-butylphenyl)methyl]-4-methylphenyl}-1H-imidazol-2-ylidenegold(I) chloride; water; silver(I) triflimide In methanol at 80℃; for 0.25h; Temperature;88%
With hexafluoroantimonic acid; AuOH(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene); water at 120℃; for 24h;40%
111957-98-3, 625-31-0

Pent-4-en-2-ol

107-87-9

2-Pentanone

Conditions
ConditionsYield
With Grotjahn’s catalyst In [(2)H6]acetone at 70℃; for 1h; Reagent/catalyst; Solvent; Inert atmosphere; Glovebox;97%
With copper at 300℃;
{CpRu[P(i-Pr)2(1-Me-4-tBu-imidazol-2-yl)]MeCN}*PF6 In acetone at 70℃; for 1h;97 % Spectr.
14848-64-7

2-pentanol(d O-H)

107-87-9

2-Pentanone

Conditions
ConditionsYield
With pyridinium chlorochromate In chloroform at 16℃; for 2.8h; Rate constant; Product distribution; Mechanism;96.4%
1569-50-2

3-penten-2-ol

A

3102-33-8

trans-3-penten-2-one

B

107-87-9

2-Pentanone

Conditions
ConditionsYield
With potassium tert-butylate; [RuCl2(η6-p-cymene){κ1-(P)-PPh2(OCH2CH2NMe2)}] In tetrahydrofuran at 75℃; for 0.0833333h;A n/a
B 95%
57230-59-8

2-methyl-2-propyl-1,3-dithiolane

107-87-9

2-Pentanone

Conditions
ConditionsYield
With selenium(IV) oxide In acetic acid for 1.16667h; Ambient temperature;94%
147050-27-9

2-Methyl-1-morpholino-1-pentene

107-87-9

2-Pentanone

Conditions
ConditionsYield
With potassium permanganate on Y-Zeolite In 1,2-dichloro-ethane for 6h; Ambient temperature;93%
5145-25-5

1-methylbutyl nitrite

107-87-9

2-Pentanone

Conditions
ConditionsYield
With potassium carbonate; dimethyl sulfoxide at 70℃; for 9.25h;92.03%
With boron trifluoride diethyl etherate In diethyl ether for 4h; Ambient temperature;91%

2-Pentanone Chemical Properties

Molecular structure of 2-Pentanone (CAS NO.107-87-9) is:

Product Name: 2-Pentanone
CAS Registry Number: 107-87-9
IUPAC Name: pentan-2-one
Molecular Weight: 86.1323 [g/mol]
Molecular Formula: C5H10O
XLogP3: 0.9
H-Bond Donor: 0
H-Bond Acceptor: 1 
EINECS: 203-528-1
Melting Point: -78 °C
Surface Tension: 22.6 dyne/cm
Density: 0.796 g/cm3
Flash Point: 7.2 °C
Enthalpy of Vaporization: 32.76 kJ/mol
Boiling Point: 102.7 °C at 760 mmHg
Vapour Pressure: 38.6 mmHg at 25°C
Refractive index: n20/D 1.39(lit.)
Storage temp.: Flammables area
Water Solubility: 43 g/L (20 °C)
Stability: Stable. Highly flammable - note low flashpoint. Incompatible with strong bases, oxidizing agents, reducing agents.
Product Categories: Organics;ketone;ketone Flavor

2-Pentanone Uses

 2-Pentanone (CAS NO.107-87-9) is used as a flavoring food additive in very small amounts.

2-Pentanone Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LCLo inhalation 13000ppm/5H (13000ppm)   "Documentation of the Threshold Limit Values and Biological Exposure Indices," 5th ed., Cincinnati, OH, American Conference of Governmental Industrial Hygienists, Inc., 1986Vol. 6, Pg. 1036, 1991.
human TCLo inhalation 1500ppm (1500ppm) SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE

BEHAVIORAL: HEADACHE

GASTROINTESTINAL: NAUSEA OR VOMITING
Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 83, 1974.
mammal (species unspecified) LC50 inhalation 22gm/m3 (22000mg/m3)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(5), Pg. 61, 1986.
mammal (species unspecified) LD50 oral 3700mg/kg (3700mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(10), Pg. 25, 1988.
mouse LD50 intraperitoneal 1600mg/kg (1600mg/kg)   "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4735, 1982.
mouse LD50 oral 1600mg/kg (1600mg/kg)   "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4735, 1982.
rabbit LD50 skin 6500mg/kg (6500mg/kg)   Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 83, 1974.
rat LCLo inhalation 2000ppm/4H (2000ppm)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat LD50 intraperitoneal 800mg/kg (800mg/kg)   "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4735, 1982.
rat LD50 oral 1600mg/kg (1600mg/kg)   "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New

2-Pentanone Safety Profile

Hazard Codes: FlammableF,HarmfulXn
Risk Statements: 11-22-36/37/38 
R11:Highly flammable. 
R22:Harmful if swallowed. 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 9-16-29-33-37/39-26 
S9:Keep container in a well-ventilated place. 
S16:Keep away from sources of ignition. 
S29:Do not empty into drains. 
S33:Take precautionary measures against static discharges. 
S37/39:Wear suitable gloves and eye/face protection. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
RIDADR: UN 1249 3/PG 2
WGK Germany: 1
RTECS: SA7875000
HazardClass: 3
PackingGroup: II

2-Pentanone Specification

 2-Pentanone , its cas register number is 107-87-9. It also can be called Methyl propyl ketone ; Ethyl acetone ; Methyl n-propyl ketone ; Methyl propyl ketone ; Methyl-propyl-cetone ; Metylopropyloketon [Polish] ; Propyl methyl ketone .It is a clear colorless liquid with the odor of fingernail polish. It less dense than water and soluble in water.It is highly flammable and can soluble in water. It is incompatible with oxidizing agents, strong bases and reducing agents. Reacts violently with bromine trifluoride.

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