Octyl acetate

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Octyl acetate
Octyl acetate
Identifiers
CAS number 112-14-1 YesY
PubChem 8164
ChemSpider 7872 YesY
RTECS number AJ1400000
Jmol-3D images Image 1
Properties
Molecular formula C10H20O2
Molar mass 172.26 g mol−1
Appearance Colorless liquid
Density 0.87 g/cm³[1]
Melting point −38 °C (−36 °F; 235 K)[1]
Boiling point 211 °C (412 °F; 484 K)[1]
Solubility in water Practically insoluble[1]
Solubility in octanol Soluble
Refractive index (nD) 1.418-1.421
Hazards
NFPA 704
Flammability code 2: Must be moderately heated or exposed to relatively high ambient temperature before ignition can occur. Flash point between 38 and 93 °C (100 and 200 °F). E.g., diesel fuel Health code 1: Exposure would cause irritation but only minor residual injury. E.g., turpentine Reactivity (yellow): no hazard code Special hazards (white): no codeNFPA 704 four-colored diamond
Flash point 83 °C (181 °F; 356 K)[1]
LD50 3000 mg/kg (oral, rat)[2]
5000 mg/kg (dermal, rabbit)[2]
Except where noted otherwise, data are given for materials in their standard state (at 25 °C (77 °F), 100 kPa)
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Infobox references

Octyl acetate, or octyl ethanoate, is an organic compound with the formula CH3(CH2)7O2CCH3. It is classified as an ester that is formed from 1-octanol (octyl alcohol) and acetic acid. It is found in oranges, grapefruits, and other citrus products.[3]

Octyl acetate can be synthesized by a condensation of 1-octanol and acetic acid:

CH3(CH2)7OH + CH3CO2H → CH3(CH2)7O2CCH3 + H2O

Uses[edit]

Because of its fruity odor, octyl acetate is used as the basis for artificial flavors and in perfumery. It is also as a solvent for nitrocellulose, waxes, oils, and some resins.

References[edit]

  1. ^ a b c d e Record in the GESTIS Substance Database from the IFA
  2. ^ a b Food and Cosmetics Toxicology 12: 815. 1974. 
  3. ^ Fahlbusch, Karl-Georg; Hammerschmidt, Franz-Josef; Panten, Johannes; Pickenhagen, Wilhelm; Schatkowski, Dietmar; Bauer, Kurt; Garbe, Dorothea; Surburg, Horst (2003). "Flavors and Fragrances". Ullmann's Encyclopedia of Industrial Chemistry. doi:10.1002/14356007.a11_141. ISBN 978-3-527-30673-2.