2-Allyl-4-hydroxy-3-methyl-2-cyclopenten-1-one supplier

Name
2-Allyl-4-hydroxy-3-methyl-2-cyclopenten-1-one
EINECS 249-724-0
CAS No. 29605-88-7
Article Data27
CAS DataBase
Density 1.082 g/cm³
Solubility
Melting Point
Formula C₉H₁₂O₂
Boiling Point 275.7 °C at 760 mmHg
Molecular Weight 152.193
Flash Point 115.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms ALLETHROLONE;2-ALLYL-4-HYDROXY-3-METHYL-2-CYCLOPENTEN-1-ONE (R,S);4-Hydroxy-3-methyl-2-(2-propenyl)cyclopent-2-en-1-one;2-allyl-3-methyl-4-hydroxycyclopent-2-enone;(+/-)-2-CYCLOPENTEN-1-ON;1-hydroxy-2-methyl-3-(2-propen-1-yl)-cyclopent-2-en-4-one;2-allyl-3-methyl-4-hydroxy-2-cyclopentenone;2-allyl-3-methyl-2-cyclopenten-4-ol-1-one;3-hydroxy-4-methyl-5-allyl-cyclopent-4-en-1-one;4-hydroxy-3-methyl-2-(2-propenyl)-2-cyclopentene-1-one;(R,S)-Allethrolone;Allethrelone;
PSA 37.30000
LogP 1.21270

2-Allyl-4-hydroxy-3-methyl-2-cyclopenten-1-one Specification

The 2-Allyl-4-hydroxy-3-methyl-2-cyclopenten-1-one, with the CAS registry number of 29605-88-7, is also known as 2-Allyl-4-hydroxy-3-methyl-2-cyclopenten-1-one. Its EINECS registry number is 249-724-0. This chemical's molecular formula is C₉H₁₂O₂ and molecular weight is 152.19. What's more, its IUPAC name is 4-Hydroxy-3-methyl-2-prop-2-enylcyclopent-2-en-1-one.

Physical properties about the 2-Allyl-4-hydroxy-3-methyl-2-cyclopenten-1-one are: (1)ACD/LogP: 0.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.42; (4)ACD/LogD (pH 7.4): 0.42; (5)ACD/BCF (pH 5.5): 1.23; (6)ACD/BCF (pH 7.4): 1.23; (7)ACD/KOC (pH 5.5): 40.41; (8)ACD/KOC (pH 7.4): 40.41; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3Å²; (13)Index of Refraction: 1.52; (14)Molar Refractivity: 42.76 cm³; (15)Molar Volume: 140.6 cm³; (16)Surface Tension: 38.4 dyne/cm; (17)Density: 1.082 g/cm³; (18)Flash Point: 115.2 °C; (19)Enthalpy of Vaporization: 59.69 kJ/mol; (20)Boiling Point: 275.7 °C at 760 mmHg; (21)Vapour Pressure: 0.000627 mmHg at 25 °C.

Uses: it is used to produce other chemicals. For example, it is used to produce 3-Methyl-but-2-enoic acid 3-allyl-2-methyl-4-oxo-cyclopent-2-enyl ester. This reaction needs reagent Pyridine. Meanwhile, it needs solvent Benzene. Other condition of this reaction is reaction time of 1.5 hours at 50 °C. The yield is about 94 %.

You can still convert the following datas into molecular structure:
(1) SMILES:O=C1\C(=C(/C(O)C1)C)C\C=C
(2) InChI:InChI=1/C9H12O2/c1-3-4-7-6(2)8(10)5-9(7)11/h3,8,10H,1,4-5H2,2H3
(3) InChIKey:KZYVOZABVXLALY-UHFFFAOYAB

Product Name

2-Allyl-4-hydroxy-3-methyl-2-cyclopenten-1-one

2-Allyl-4-hydroxy-3-methyl-2-cyclopenten-1-one Specification

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