Products Categories
| CAS No.: | 672-89-9 |
|---|---|
| Name: | 4-Methoxy-6-methyl-2H-pyran-2-one |
| Molecular Structure: | |
|
|
|
| Formula: | C7H8O3 |
| Molecular Weight: | 140.139 |
| Synonyms: | Sorbicacid, 5-hydroxy-3-methoxy-, d-lactone (6CI,7CI);4-Methoxy-6-methyl-2-pyranone;4-Methoxy-6-methyl-2-pyrone;4-Methoxy-6-methyl-2H-pyran-2-one;6-Methyl-4-methoxy-2-pyrone;Methyltriacetolactone;NSC 139216;Triacetic acidlactone methyl ether; |
| EINECS: | 211-600-9 |
| Density: | 1.14g/cm3 |
| Melting Point: | 83-86 °C(lit.) |
| Boiling Point: | 280.3 °C at 760 mmHg |
| Flash Point: | 112.6 °C |
| Solubility: | Poorly soluble in water. |
| PSA: | 39.44000 |
| LogP: | 0.95680 |
- 81281-59-67-Benzylideneaminotheophylline
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 717878-06-31-(4-fluorophenyl)-4-nitro-1H-imidazole
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
What can I do for you?
Get Best Price
Specification
This chemical is called 4-Methoxy-6-methylpyran-2-one, and it can also be named as 2H-pyran-2-one, 4-methoxy-6-methyl-. With the molecular formula of C7H8O3, its molecular weight is 140.14. The CAS registry number of this chemical is 672-89-9, and its product categories are API Intermediates; Building Blocks; Heterocyclic Building Blocks; Pyrans.
Other characteristics of the 4-Methoxy-6-methylpyran-2-one can be summarised as followings: (1)ACD/LogP: 0.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.39; (4)ACD/LogD (pH 7.4): 0.39; (5)ACD/BCF (pH 5.5): 1.18; (6)ACD/BCF (pH 7.4): 1.18; (7)ACD/KOC (pH 5.5): 39.07; (8)ACD/KOC (pH 7.4): 39.07; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.492; (14)Molar Refractivity: 35.36 cm3; (15)Molar Volume: 121.9 cm3; (16)Polarizability: 14.02×10-24cm3; (17)Surface Tension: 33.9 dyne/cm; (18)Density: 1.14 g/cm3; (19)Flash Point: 112.6 °C; (20)Enthalpy of Vaporization: 51.9 kJ/mol; (21)Boiling Point: 280.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00382 mmHg at 25°C.
Production method of this chemical: The 4-Methoxy-6-methylpyran-2-one could be obtained the reactants of 4-hydroxy-6-methyl-pyran-2-one and sulfuric acid dimethyl ester, the reagent of Na2CO3, and the solvent of acetone. The yield is 96 %. In addition, the other condition is heating.
.jpg)
Uses of this chemical: The 3-bromo-4-methoxy-6-methyl-pyran-2-one could be obtained by the reactant of 4-Methoxy-6-methylpyran-2-one, and the reagent of NBS, and the solvent of CCl4. This reaction should be taken for 1 hour with the heating, and its yield is 88 %.
.jpg)
You can still convert the following datas into molecular structure:
1.SMILES: O=C/1O\C(=CC(\OC)=C\1)C
2.InChI: InChI=1/C7H8O3/c1-5-3-6(9-2)4-7(8)10-5/h3-4H,1-2H3
3.InChIKey: MTZAUZNQAMNFME-UHFFFAOYAL
4.Std. InChI: InChI=1S/C7H8O3/c1-5-3-6(9-2)4-7(8)10-5/h3-4H,1-2H3
5.Std. InChIKey: MTZAUZNQAMNFME-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 820mg/kg (820mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 19, Pg. 617, 1969. Link to PubMed | |
| mouse | LD50 | intravenous | 650mg/kg (650mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 19, Pg. 617, 1969. Link to PubMed |