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| CAS No.: | 107-87-9 |
|---|---|
| Name: | 2-Pentanone |
| Molecular Structure: | |
|
|
|
| Formula: | C5H10O |
| Molecular Weight: | 86.1338 |
| Synonyms: | 4-Methyl-2-butanone;Ethylacetone;Methyl n-propyl ketone;Methyl propyl ketone;NSC 5350;Propylmethyl ketone;2-Pentanone ( Methyl propyl ketone); |
| EINECS: | 203-528-1 |
| Density: | 0.796 g/cm3 |
| Melting Point: | -78 °C |
| Boiling Point: | 102.7 °C at 760 mmHg |
| Flash Point: | 7.2 °C |
| Solubility: | soluble in water |
| Appearance: | clear colorless liquid with the odor of fingernail polish |
| Hazard Symbols: |
 F, Xn
|
| Risk Codes: | 11-22-36/37/38 |
| Safety: | 9-16-29-33-37/39-26 |
| Transport Information: | UN 1249 3/PG 2 |
| PSA: | 17.07000 |
| LogP: | 1.37550 |
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| Conditions | Yield |
|---|---|
| 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% |
| Conditions | Yield |
|---|---|
| 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% |
| Conditions | Yield |
|---|---|
| With sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; di(rhodium)tetracarbonyl dichloride In dichloromethane | 98% |
| 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% |
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| With pyridinium chlorochromate In chloroform at 16℃; for 2.8h; Rate constant; Product distribution; Mechanism; | 96.4% |
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| With potassium permanganate on Y-Zeolite In 1,2-dichloro-ethane for 6h; Ambient temperature; | 93% |
| Conditions | Yield |
|---|---|
| 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% |
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- 402957-28-2Telaprevir
- 68-19-9Cyanocobalamin
- Total:30 Page 1 of 1 1
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Chemistry
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
Uses
2-Pentanone (CAS NO.107-87-9) is used as a flavoring food additive in very small amounts.
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 |
Safety Profile
Hazard Codes: 
F,
Xn
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
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.