CAS No.765-70-8,3-Methyl-1,2-cyclopentanedione Suppliers

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Basic Information

Molecular Structure:
CAS No.:	765-70-8
Name:	3-Methyl-1,2-cyclopentanedione
Article Data:	21

Formula:	C₆H₈O₂
Molecular Weight:	112.128
Synonyms:	3-Methyl-1,2-cyclopentanedione;
EINECS:	212-154-8
Density:	1.103 g/cm³
Melting Point:	104-108 °C(lit.)
Boiling Point:	178.666 °C at 760 mmHg
Flash Point:	59.327 °C
Solubility:	soluble in water
Appearance:	white to off-white powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38-43
Safety:	22-24/25-36/37-26-36
PSA:	34.14000
LogP:	0.55450

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Specification

The 3-Methyl-1,2-cyclopentanedione, with the CAS registry number 765-70-8, is also known as 2-Hydroxy-3-methyl-2-cyclopenten-1-one. Its EINECS registry number is 212-154-8. This chemical's molecular formula is C₆H₈O₂ and molecular weight is 112.13. What's more, both its IUPAC name and systematic name are the same which is called 3-Methylcyclopentane-1,2-dione. It should be stored in a cool, dry and well-ventilated place.

Physical properties about 3-Methyl-1,2-cyclopentanedione are: (1)ACD/LogP: 0.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.26; (4)ACD/LogD (pH 7.4): 0.26; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 33.00; (8)ACD/KOC (pH 7.4): 33.00; (9)#H bond acceptors: 2; (10) #H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 34.14 Å²; (13)Index of Refraction: 1.463; (14)Molar Refractivity: 28.028 cm³; (15)Molar Volume: 101.703 cm³; (16)Polarizability: 11.111×10^-24cm³; (17)Surface Tension: 35.919 dyne/cm; (18)Density: 1.103 g/cm³; (19)Flash Point: 59.327 °C; (20)Enthalpy of Vaporization: 41.495 kJ/mol; (21)Boiling Point: 178.666 °C at 760 mmHg; (22)Vapour Pressure: 0.978 mmHg at 25 °C.

Preparation of 3-Methyl-1,2-cyclopentanedione: this chemical can be prepared by 2,3-epoxy-3-methyl-cyclopentanone. This reaction needs reagent sulfuric acid at temperature of 100 °C. The reaction time is 3 hours. The yield is 72 %.

3-Methyl-1,2-cyclopentanedione can be prepared by 2,3-epoxy-3-methyl-cyclopentanone.

Uses of 3-Methyl-1,2-cyclopentanedione: (1) it is used as fragrance and sweet taste synergistic agent; (2) it is used to produce other chemicals. For example, it can react with methanol to get 2-methoxy-3-methyl-cyclopent-2-enone. This reaction needs reagent HCl gas at temperature of 0 °C. The reaction time is 1 hour. The yield is 63 %.

3-Methyl-1,2-cyclopentanedione can react with methanol to get 2-methoxy-3-methyl-cyclopent-2-enone.

When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In addition, it may cause sensitisation by skin contact. Therefore, you should wear suitable protective clothing, gloves and avoid contacting with skin and eyes. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1C(=O)C(C)CC1
(2) InChI: InChI=1S/C6H8O2/c1-4-2-3-5(7)6(4)8/h4H,2-3H2,1H3
(3) InChIKey: OACYKCIZDVVNJL-UHFFFAOYSA-N