Cyclohexanecarboxylic acid ethyl ester
- CAS NO.:3289-28-9
- Empirical Formula: C9H16O2
- Molecular Weight: 156.22
- MDL number: MFCD00041734
- EINECS: 221-945-7
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-08-21 22:41:43
What is Cyclohexanecarboxylic acid ethyl ester?
Chemical properties
Ethyl cyclohexanecarboxylate has a cheese-like odor
Occurrence
Reported found in rum.
The Uses of Cyclohexanecarboxylic acid ethyl ester
Ethyl cyclohexanecarboxylate is used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.
Definition
ChEBI: Ethyl cyclohexanecarboxylate is an ethyl ester resulting from the formal condensation of the carboxy group of cyclohexanecarboxylic acid with ethanol. It has a role as a flavouring agent, a plant metabolite and a human metabolite. It is an ethyl ester and a volatile organic compound. It is functionally related to a cyclohexanecarboxylic acid.
Aroma threshold values
Detection: 0.001 ppb
Synthesis Reference(s)
Journal of the American Chemical Society, 96, p. 3686, 1974 DOI: 10.1021/ja00818a072
Purification Methods
Ethyl cyclohexanecarboxylate [3289-28-9] M 156.2, b 76 -77o/10mm, 92 -93o/34mm, 196 -1 9 6 . 2o/760mm, d 4 0.955, n D 1.441. Wash the ester with N sodium hydroxide solution, then water, dry with Na2SO4 and distil it. The amide has m 185-186o. [Adkins & Cramer J Am Chem Soc 52 4355 1930, Newman & Walborsky J Am Chem Soc 72 4296 1950, Beilstein 9 III 17, 9 IV 18.]
Properties of Cyclohexanecarboxylic acid ethyl ester
Melting point: | 120 °C |
Boiling point: | 194-196°C |
Density | 0,936 g/cm3 |
refractive index | 1.4420 |
FEMA | 3544 | ETHYL CYCLOHEXANECARBOXYLATE |
Flash point: | 194-196°C |
storage temp. | Sealed in dry,Room Temperature |
Odor | at 100.00 %. fruity cheese winey |
Water Solubility | Insoluble in water. |
JECFA Number | 963 |
BRN | 2042698 |
CAS DataBase Reference | 3289-28-9(CAS DataBase Reference) |
NIST Chemistry Reference | Ethyl cyclohexanecarboxylate(3289-28-9) |
EPA Substance Registry System | Cyclohexanecarboxylic acid, ethyl ester (3289-28-9) |
Safety information for Cyclohexanecarboxylic acid ethyl ester
Signal word | Warning |
Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation |
Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P332+P313:IF SKIN irritation occurs: Get medical advice/attention. P337+P313:IF eye irritation persists: Get medical advice/attention. |
Computed Descriptors for Cyclohexanecarboxylic acid ethyl ester
New Products
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