Octyl acetate

Octyl acetate
IUPAC name Octyl acetate
Other names Octyl ethanoate n-Octyl acetate
Identifiers
CAS number	112-14-1 Y
PubChem	8164
ChemSpider	7872 Y
RTECS number	AJ1400000
Jmol-3D images	Image 1
SMILES O=C(OCCCCCCCC)C
InChI 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
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	2 1 0
Flash point	83 °C (181 °F)[1]
LD50	3000 mg/kg (oral, rat)[2] 5000 mg/kg (dermal, rabbit)[2]
Y (verify) (what is: Y/N?) Except where noted otherwise, data are given for materials in their standard state (at 25 °C (77 °F), 100 kPa)
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

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