Amyl acetate

Amyl acetate
Names
	Preferred IUPAC name Pentyl acetate
	Other names Acetic acid n-amyl ester; Acetic acid pentyl ester; n-Amyl acetate; Amyl ethanoate; Pear oil; Pentyl ethanoate; Amyl acetic ester; Amyl acetic ether; 1-Pentanol acetate;
Identifiers
CAS Number	628-63-7 ;
3D model (JSmol)	Interactive image; Interactive image;
Beilstein Reference	1744753
ChEBI	CHEBI:167899 ;
ChEMBL	ChEMBL47769 ;
ChemSpider	11843 ;
ECHA InfoCard	100.010.044
EC Number	211-047-3;
MeSH	Amyl+acetate
PubChem CID	12348;
RTECS number	AJ1925000;
UNII	92Q24NH7AS ;
UN number	UN 1104
CompTox Dashboard (EPA)	DTXSID1027263 ;
	InChI InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3 Key: PGMYKACGEOXYJE-UHFFFAOYSA-N ; InChI=1/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3 Key: PGMYKACGEOXYJE-UHFFFAOYAQ;
	SMILES CCCCCOC(C)=O; O=C(OCCCCC)C;
Properties
Chemical formula	C7H14O2
Molar mass	130.19 g/mol
Appearance	Colorless liquid
Odor	Banana-like
Density	0.876 g/cm3
Melting point	−71 °C (−96 °F; 202 K)
Boiling point	149 °C (300 °F; 422 K)
Solubility in other solvents	Water: 1.73 mg/ml (25 °C)
Vapor pressure	4 mmHg
Magnetic susceptibility (χ)	−89.06·10−6 cm3/mol
Hazards
Main hazards	Flammable
Safety data sheet	External MSDS
NFPA 704 (fire diamond)	3 1 0
Flash point	−70.6 °C (−95.1 °F; 202.6 K)
Explosive limits	1.1–7.5%
	Lethal dose or concentration (LD, LC):
LD50 (median dose)	7400 mg/kg, oral (rabbit); 6500 mg/kg, oral (rat)
LCLo (lowest published)	5200 ppm (rat)
	NIOSH (US health exposure limits):
PEL (Permissible)	100 ppm, 8 hr TWA (525 mg/m3)
REL (Recommended)	TWA 100 ppm (525 mg/m3)
IDLH (Immediate danger)	1000 ppm
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).

Amyl acetate (pentyl acetate) is an organic compound and an ester with the chemical formula CH₃COO[CH₂]₄CH₃ and the molecular weight 130.19 g/mol. It has a scent similar to bananas^[3] and apples.^[4] The compound is the condensation product of acetic acid and 1-pentanol. However, esters formed from other pentanol isomers (amyl alcohols), or mixtures of pentanols, are often referred to as amyl acetate.

Uses

It is used as a flavoring agent, as a paint and lacquer solvent, and in the preparation of penicillin.

It is an inactive ingredient in liquid bandages.^[5]

It is used as a fuel in the Hefner lamp.

References

^ ^a ^b ^c ^d ^e ^f ^g ^h NIOSH Pocket Guide to Chemical Hazards. "#0031". National Institute for Occupational Safety and Health (NIOSH).
^ ^a ^b "n-Amyl acetate". National Institute for Occupational Safety and Health (NIOSH). 4 December 2014. Retrieved 16 February 2015.
^ Stark, Norman (1975). The Formula Book. New York: Sheed and Ward. p. 28. ISBN 0-8362-0630-4.
^ Thickett, Geoffrey (2006). Chemistry 2: HSC Course. Milton, Queensland, Australia: John Wiley & Sons. p. 227. ISBN 978-0-7314-0415-5.
^ "New-Skin® Liquid Bandage—Inactive Ingredients". new-skin. Retrieved July 4, 2017.

[PGCH-1] ^ ^a ^b ^c ^d ^e ^f ^g ^h NIOSH Pocket Guide to Chemical Hazards. "#0031". National Institute for Occupational Safety and Health (NIOSH).

[IDLH-2] "n-Amyl acetate". National Institute for Occupational Safety and Health (NIOSH). 4 December 2014. Retrieved 16 February 2015.

[3] Stark, Norman (1975). The Formula Book. New York: Sheed and Ward. p. 28. ISBN 0-8362-0630-4.

[4] Thickett, Geoffrey (2006). Chemistry 2: HSC Course. Milton, Queensland, Australia: John Wiley & Sons. p. 227. ISBN 978-0-7314-0415-5.

[5] "New-Skin® Liquid Bandage—Inactive Ingredients". new-skin. Retrieved July 4, 2017.

[1]

[2]

[3]

[4]

[5]

Names


Preferred IUPAC name Pentyl acetate
Other names Acetic acid n-amyl ester Acetic acid pentyl ester n-Amyl acetate Amyl ethanoate Pear oil Pentyl ethanoate Amyl acetic ester^[1] Amyl acetic ether^[1] 1-Pentanol acetate^[1]
Identifiers
CAS Number	628-63-7
3D model (JSmol)	Interactive image Interactive image
Beilstein Reference	1744753
ChEBI	CHEBI:167899
ChEMBL	ChEMBL47769
ChemSpider	11843
ECHA InfoCard	100.010.044
EC Number	211-047-3
MeSH	Amyl+acetate
PubChem CID	12348
RTECS number	AJ1925000
UNII	92Q24NH7AS
UN number	UN 1104
CompTox Dashboard (EPA)	DTXSID1027263
InChI InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3 Key: PGMYKACGEOXYJE-UHFFFAOYSA-N InChI=1/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3 Key: PGMYKACGEOXYJE-UHFFFAOYAQ
SMILES CCCCCOC(C)=O O=C(OCCCCC)C
Properties
Chemical formula	C₇H₁₄O₂
Molar mass	130.19 g/mol
Appearance	Colorless liquid
Odor	Banana-like
Density	0.876 g/cm³
Melting point	−71 °C (−96 °F; 202 K)
Boiling point	149 °C (300 °F; 422 K)
Solubility in other solvents	Water: 1.73 mg/ml (25 °C)
Vapor pressure	4 mmHg^[1]
Magnetic susceptibility (χ)	−89.06·10⁻⁶ cm³/mol
Hazards
Main hazards	Flammable
Safety data sheet	External MSDS
NFPA 704 (fire diamond)	3 1 0
Flash point	−70.6 °C (−95.1 °F; 202.6 K)
Explosive limits	1.1–7.5%^[1]
Lethal dose or concentration (LD, LC):
LD₅₀ (median dose)	7400 mg/kg, oral (rabbit) 6500 mg/kg, oral (rat)^[2]
LC_Lo (lowest published)	5200 ppm (rat)^[2]
NIOSH (US health exposure limits):
PEL (Permissible)	100 ppm, 8 hr TWA (525 mg/m³)^[1]
REL (Recommended)	TWA 100 ppm (525 mg/m³)^[1]
IDLH (Immediate danger)	1000 ppm^[1]
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).

Amyl acetate

Uses

See also

References