Octyl acetate

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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.

Octyl acetate
Names
Preferred IUPAC name
Octyl acetate
Other names
n-Octyl acetate
Identifiers
  • 112-14-1 Y
3D model (JSmol)
  • Interactive image
ChEBI
  • CHEBI:87495 N
ChemSpider
  • 7872 Y
ECHA InfoCard 100.003.581
PubChem CID
  • 8164
RTECS number
  • AJ1400000
UNII
  • X0FN2J413S Y
  • DTXSID8044202
  • InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3-9H2,1-2H3 Y
    Key: YLYBTZIQSIBWLI-UHFFFAOYSA-N Y
  • InChI=1/C10H20O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3-9H2,1-2H3
    Key: YLYBTZIQSIBWLI-UHFFFAOYAX
  • O=C(OCCCCCCCC)C
Properties
Chemical formula
 C10H20O2
Molar mass 172.268 g·mol−1
Appearance Colorless liquid
Odor Fruity, slightly waxy floral odor
Density 0.863–0.87 g/cm3
Melting point −38.5 – −38 °C (−37.3 – −36.4 °F; 234.7–235.2 K)
Boiling point 203–211.3 °C (397.4–412.3 °F; 476.1–484.4 K)
112.55 °C (234.59 °F; 385.70 K)
at 30 mmHg
Solubility in water
 0.021 g/100 g (0 °C)
0.018 g/100 g (29.7 °C)
0.018 g/100 g (40 °C)
0.012 g/100 g (92.1 °C)
Solubility Soluble in EtOH, ether
Vapor pressure 0.01 kPa (−3 °C)
0.0072–0.0073 (14.75 °C)
0.02–0.1 kPa (27 °C)
1 kPa (66.3 °C)
10 kPa (120 °C)
Refractive index (nD)
 1.415–1.422 (20 °C)
Thermochemistry
Heat capacity (C)
 331–343.74 J/mol·K
Hazards
NFPA 704 (fire diamond)
1
2
0
Flash point 83–86 °C (181–187 °F; 356–359 K)
Autoignition
temperature
 268–268.3 °C (514.4–514.9 °F; 541.1–541.5 K)
Explosive limits 0.76–8.14%
Lethal dose or concentration (LD, LC):
LD50 (median dose)
 3000 mg/kg (oral, rat)
5000 mg/kg (dermal, rabbit)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
N verify (what is YN ?)
Infobox references

Octyl acetate can be synthesized by the Fischer esterification of 1-octanol and acetic acid:

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

Uses

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

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