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Home > Encyclopedia > Ethyl (1-hydroxycyclohexyl)acetate

Ethyl (1-hydroxycyclohexyl)acetate

Ethyl (1-hydroxycyclohexyl)acetate structure

Ethyl (1-hydroxycyclohexyl)acetate 

structure
  • CAS No:

    5326-50-1

  • Formula:

    C10H18O3

  • Chemical Name:

    Ethyl (1-hydroxycyclohexyl)acetate

  • Synonyms:

    ethyl 2-(1-hydroxycyclohexyl)acetate;ethyl (1-hydroxycyclohexyl)acetate;ethyl(1-hydroxycyclohexyl)acetate;Cyclohexaneacetic acid, 1-hydroxy-, ethyl ester;(1-Hydroxy-cyclohexyl)-acetic acid ethyl ester;NSC307;SCHEMBL867537;ethyl-1-hydroxycyclohexylacetate;Ethyl 1-hydroxycyclohexaneacetate;KS-00000HSJ

Ethyl (1-hydroxycyclohexyl)acetate Basic Attributes

186.249

186.125595

50876|307

2918199090

Characteristics

46.5

1.9

1.1±0.1 g/cm3

63-64 °C

262.7°C at 760 mmHg

103.0±12.6 °C

1.475

Safety Information

P264, P270, P301+P312, P330, P501

H302

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Ethyl (1-hydroxycyclohexyl)acetate Use and Manufacturing

Reference Example 61; (1-Hydroxycyclohexyl) ethyl acetate; To a solution of cyclohexanone (9.52 g, 97.0 mmol), a zinc powder (7.6 g, 116.4 mmol) and a small amount of iodine in THF (100 ml) was added dropwise ethyl bromoacetate (11.8 ml, 106.7 mmol) under a nitrogen atmosphere, and the mixture was heated under reflux for 5 hrs. 10percent Sulfuric acid (100 ml) was carefully added under ice-cooling, and the mixture was extracted with ethyl acetate. The extract was washed with saturated aqueous sodium hydrogen carbonate solution, dried over anhydrous MgS04, and concentrated under reduced pressure to give the title compound (17.2 g, 94percent) as a colorless oil.

Computed Properties

Molecular Weight:186.25
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:186.125594432
Monoisotopic Mass:186.125594432
Topological Polar Surface Area:46.5
Heavy Atom Count:13
Complexity:171
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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