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CAS No.: | 625-33-2 |
---|---|
Name: | 3-Penten-2-one |
Article Data: | 95 |
Molecular Structure: | |
Formula: | C5H8 O |
Molecular Weight: | 84.1179 |
Synonyms: | 2-Oxo-3-pentene;2-Penten-4-one; Ethylideneacetone; Methyl 1-propenyl ketone; Methyl propenylketone; NSC 61468 |
EINECS: | 210-888-3 |
Density: | 0.862 g/mL at 25 °C(lit.) |
Boiling Point: | 121-124 °C(lit.) |
Flash Point: | 70 °c |
Solubility: | slightly soluble in Water |
Appearance: | colourless liquid with a pungent odour |
Hazard Symbols: | FXn |
Risk Codes: | 11-21-36/37/38 |
Safety: | Moderately toxic by ingestion, inhalation, and skin contact. A skin and eye irritant. Flammable 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 irritating fumes. See also KETONES. |
Transport Information: | UN 1992 |
PSA: | 17.07000 |
LogP: | 1.15150 |
Conditions | Yield |
---|---|
With sulfur tetrafluoride; sodium fluoride at 20℃; for 3h; autoclave; | A 80% B 20% |
With sulfur tetrafluoride; sodium fluoride at 20℃; for 24h; autoclave; | A 45% B 55% |
Pent-4-en-2-ol
A
pent-4-en-2-one
B
3-penten-2-one
C
2-pentene-1,4-dione
Conditions | Yield |
---|---|
With tetrapropylammonium perruthennate In dichloromethane at 20℃; for 8h; Molecular sieve; | A 74% B 10% C 16% |
Conditions | Yield |
---|---|
With potassium phosphate; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; Cu2(phenanthroline)2(μ-Cl)2Cl2; oxygen In acetonitrile at 20℃; for 5h; | 71% |
With (1R,2R)-1,2-di(naphthalen-1-yl)ethane-1,2-diamine; tert.-butylhydroperoxide; potassium carbonate In water at 95℃; for 16h; | 21% |
With oxygen; aluminum oxide; ruthenium In various solvent(s) at 82.84℃; for 6h; |
5,6-dihydro-4-hydroxy-6-methyl-2H-pyran-2-one
3-penten-2-one
Conditions | Yield |
---|---|
In water at 179.84℃; under 25858.1 Torr; Product distribution / selectivity; Inert atmosphere; | 59.7% |
With Amberlyst 70 In water at 99.84℃; under 15751.6 Torr; for 4h; Solvent; Time; Inert atmosphere; Flow reactor; |
Conditions | Yield |
---|---|
With dmap; acetic anhydride; triethylamine Ambient temperature; | A 28% B 53% |
With dmap; triethylamine for 2h; Ambient temperature; | A 28% B 53% |
Conditions | Yield |
---|---|
With sodium hydroxide In diethyl ether at 0℃; for 5h; | 9.6% |
With sodium hydroxide; diethyl ether und Destillation des Reaktionsprodukts mit wasserfreier Oxalsaeure; | |
With caesium carbonate In methanol at 20℃; for 5.5h; | |
With sodium hydroxide In water at 40℃; | |
With sodium hydroxide In water at 25℃; for 6h; |
Conditions | Yield |
---|---|
at 525℃; Erhitzen; |
pent-4-en-2-one
3-penten-2-one
Conditions | Yield |
---|---|
durch verschiedene Agenzien; | |
With sodium ethanolate | |
With piperidine | |
With mineral acid | |
With hydrogenchloride In gas |
Conditions | Yield |
---|---|
at 25 - 170℃; Quantum yield; Photolysis; |
Conditions | Yield |
---|---|
With aluminum tri-bromide; hexane | |
With carbon disulfide; aluminum tri-bromide |
Molecular Structure of 3-Penten-2-one (625-33-2):
EINECS: 210-888-3
IUPAC Name: (E)-Pent-3-en-2-one
Molecular Formula: C5H8O
Molecular Weight: 84.116420 g/mol
XLogP3: 0.5
H-Bond Donor: 0
H-Bond Acceptor: 1
Canonical SMILES: CC=CC(=O)C
Isomeric SMILES: C/C=C/C(=O)C
InChI: InChI=1S/C5H8O/c1-3-4-5(2)6/h3-4H,1-2H3/b4-3+
InChIKey: LABTWGUMFABVFG-ONEGZZNKSA-N
Index of Refraction: 1.411
Molar Refractivity: 25.3 cm3
Molar Volume: 101.8 cm3
Surface Tension: 23.1 dyne/cm
Density: 0.826 g/cm3
Flash Point: 19.8 °C
Enthalpy of Vaporization: 36 kJ/mol
Boiling Point: 122 °C at 760 mmHg
Vapour Pressure: 14.2 mmHg at 25 °C
Water Solubility: 4.618e+004 mg/L at 25 °C
Refractive Index: n20/D 1.437(lit.)
Storage Temp.: 2-8 °C
BRN: 1633505
1. | skn-rbt 10 mg/24H | JIHTAB Journal of Industrial Hygiene and Toxicology. 30 (1948),63. | ||
2. | eye-rbt 500 mg | JIHTAB Journal of Industrial Hygiene and Toxicology. 30 (1948),63. | ||
3. | orl-rat LD50:3200 mg/kg | JIDHAN Journal of Industrial Hygiene. 30 (1948),63. | ||
4. | ihl-rat LCLo:250 ppm/4H | JIHTAB Journal of Industrial Hygiene and Toxicology. 31 (1949),343. | ||
5. | skn-rbt LD50:500 mg/kg | JIHTAB Journal of Industrial Hygiene and Toxicology. 30 (1948),63. |
Community Right-To-Know List. Reported in EPA TSCA Inventory.
Safety Information of 3-Penten-2-one (625-33-2):
Hazard Codes: F ,Xn
Risk Statements: 11-21-36/37/38
11: Highly Flammable
21: Harmful in contact with skin
36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 16-26-33-36/37/39
16: Keep away from sources of ignition - No smoking
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
33: Take precautionary measures against static discharges
36/37/39: Wear suitable protective clothing, gloves and eye/face protection
RIDADR: UN 1992 3/PG 2
WGK Germany: 3
RTECS: SB3850000
F: 10-19
HazardClass: 3
PackingGroup: II
Moderately toxic by ingestion, inhalation, and skin contact. A skin and eye irritant. Flammable 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 irritating fumes. See also KETONES.
DOT Classification: 3; Label: Flammable Liquid
3-Penten-2-one (625-33-2) is colourless liquid with a pungent odour. It is also called for 2-Oxo-3-pentene ; 3-01-00-02985 (Beilstein Handbook Reference) ; AI3-37794 ; Ethylidene acetone ; FEMA No. 3417 ; Methyl 1-propenyl ketone ; Methyl propenyl ketone ; NSC 61468 .