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| | Methyl cyclohexanecarboxylate Basic information |
| | Methyl cyclohexanecarboxylate Chemical Properties |
| Boiling point | 183 °C(lit.) | | density | 0.995 g/mL at 25 °C(lit.) | | refractive index | n20/D 1.443(lit.) | | FEMA | 3568 | METHYL CYCLOHEXANECARBOXYLATE | | Fp | 140 °F | | storage temp. | Sealed in dry,Room Temperature | | solubility | Dichloromethane | | form | Liquid | | Specific Gravity | 0.98 | | color | Clear colorless to light yellow | | Odor | at 10.00 % in dipropylene glycol. fruity berry estery pineapple milk | | Odor Type | fruity | | biological source | synthetic | | Water Solubility | ALMOST INSOLUBLE | | JECFA Number | 962 | | Henry's Law Constant | 1.1×10-1 mol/(m3Pa) at 25℃, Bagno et al. (1991) | | Dielectric constant | 4.8700000000000001 | | Major Application | flavors and fragrances | | InChI | 1S/C8H14O2/c1-10-8(9)7-5-3-2-4-6-7/h7H,2-6H2,1H3 | | InChIKey | ZQWPRMPSCMSAJU-UHFFFAOYSA-N | | SMILES | COC(=O)C1CCCCC1 | | LogP | 2.24 | | CAS DataBase Reference | 4630-82-4(CAS DataBase Reference) | | NIST Chemistry Reference | c-C6H11COOCH3(4630-82-4) | | EPA Substance Registry System | Methyl cyclohexanecarboxylate (4630-82-4) |
| Risk Statements | 36/37/38 | | Safety Statements | 24/25 | | RIDADR | UN 3272 3/PG 3 | | WGK Germany | 2 | | RTECS | GU8599000 | | HazardClass | 3.2 | | PackingGroup | III | | HS Code | 29162090 | | Storage Class | 3 - Flammable liquids | | Hazard Classifications | Flam. Liq. 3 |
| | Methyl cyclohexanecarboxylate Usage And Synthesis |
| Description | Methyl cyclohexanecarboxylate has a cheese-like odor. | | Description | Methyl cyclohexanecarboxylate is an aliphatic ester that has been used in a variety of chemical synthesis studies, including the preparation of primary amides and reduction of esters to alcohols. | | Chemical Properties | CLEAR COLORLESS TO LIGHT YELLOW LIQUID | | Chemical Properties | Methyl cyclohexanecarboxylate has a cheese-like odor | | Occurrence | Reported found in Bourbon vanilla. | | Uses | Methyl cyclohexanecarboxylate may be used in chemical synthesis studies. | | Uses | Odorant found in virgin olive oil and green olives. | | Definition | ChEBI: Methyl cyclohexanecarboxylate is a methyl ester resulting from the formal condensation of the carboxy group of cyclohexanecarboxylic acid with methanol. It has a role as a human metabolite and a flavouring agent. It is a methyl ester and a volatile organic compound. It is functionally related to a cyclohexanecarboxylic acid. | | Preparation | Prepared in 65% overall yield from a two-step procedure starting with readily available chlorocyclohexane. | | Taste threshold values | Taste characteristics at 20 ppm: cooling, sweet, fruity and floral | | Synthesis Reference(s) | The Journal of Organic Chemistry, 49, p. 4014, 1984 DOI: 10.1021/jo00195a028
Tetrahedron Letters, 20, p. 3809, 1979 DOI: 10.1016/S0040-4039(01)95530-3
Synthetic Communications, 13, p. 985, 1983 DOI: 10.1080/00397918308082716 | | References | [1] PRASANTH C. P. Stabilization of NaBH4 in Methanol Using a Catalytic Amount of NaOMe. Reduction of Esters and Lactones at Room Temperature without Solvent-Induced Loss of Hydride[J]. The Journal of Organic Chemistry, 2018, 83 3: 1431-1440. DOI: 10.1021/acs.joc.7b02993
[2] GEMMA E. VEITCH Steven V L Katy L Bridgwood. Magnesium Nitride as a Convenient Source of Ammonia: Preparation of Primary Amides[J]. Organic Letters, 2008, 10 16: 3623-3625. DOI: 10.1021/ol801398z |
| | Methyl cyclohexanecarboxylate Preparation Products And Raw materials |
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