| Identification | More | [Name]
Methyl cyclohexanecarboxylate | [CAS]
4630-82-4 | [Synonyms]
CYCLOHEXANECARBOXYLIC ACID METHYL ESTER
FEMA 3568
METHYL CYCLOHEXANCARBOXYLATE
METHYL CYCLOHEXANECARBOXYLATE
RARECHEM AL BF 0002
TIMTEC-BB SBB008423
Cyclohexanecarboxylicacid,methylester(6CI,7CI,8CI,9CI)
Hexahydrobenzoic acid methyl ester
hexahydrobenzoicacidmethylester
Methyl cyclohexanoate
Methyl cyclohexylcarboxylate
Methyl ester of cyclohexanecarboxylic acid
methylcyclohexanoate
methylhexahydrobenzoate
METHYL CYCLOHEXANECARBOXYLATE 98+%
METHYL CHCLOHEXANE CARBOXYLATE | [EINECS(EC#)]
225-050-2 | [Molecular Formula]
C8H14O2 | [MDL Number]
MFCD00001458 | [Molecular Weight]
142.2 | [MOL File]
4630-82-4.mol |
| Chemical Properties | Back Directory | [Appearance]
CLEAR COLORLESS TO LIGHT YELLOW LIQUID | [Boiling point ]
183 °C(lit.) | [density ]
0.995 g/mL at 25 °C(lit.)
| [FEMA ]
3568 | [refractive index ]
n20/D 1.443(lit.)
| [Fp ]
140 °F
| [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
Dichloromethane | [form ]
Liquid | [color ]
Clear colorless to light yellow | [Specific Gravity]
0.98 | [Odor]
at 10.00 % in dipropylene glycol. fruity berry estery pineapple milk | [biological source]
synthetic | [Odor Type]
fruity | [Water Solubility ]
ALMOST INSOLUBLE | [JECFA Number]
962 | [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]
4630-82-4(EPA Substance) |
| Safety Data | Back Directory | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S24/25:Avoid contact with skin and eyes . | [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 |
| Hazard Information | Back Directory | [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.1,2 | [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 |
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