Sec-Amyl_acetate

*sec*-Amyl acetate
Names
	Preferred IUPAC name Pentan-2-yl acetate
	Other names 1-Methylbutyl acetate; 2-Pentanol acetate; 2-Pentyl ester of acetic acid
Identifiers
CAS Number	626-38-0 ;
3D model (JSmol)	Interactive image;
ChemSpider	11775;
ECHA InfoCard	100.009.952
PubChem CID	12278;
UNII	B570113U4Q ;
CompTox Dashboard (EPA)	DTXSID8052306 ;
	InChI InChI=1S/C7H14O2/c1-4-5-6(2)9-7(3)8/h6H,4-5H2,1-3H3 Key: GQKZRWSUJHVIPE-UHFFFAOYSA-N; InChI=1/C7H14O2/c1-4-5-6(2)9-7(3)8/h6H,4-5H2,1-3H3 Key: GQKZRWSUJHVIPE-UHFFFAOYAN;
	SMILES CCCC(C)OC(C)=O;
Properties
Chemical formula	C7H14O2
Molar mass	130.187 g·mol−1
Appearance	Colorless liquid
Odor	Mild, like bananas
Density	0.87 g/mL (20°C)
Melting point	−78 °C; −109 °F; 195 K
Boiling point	121 °C; 249 °F; 394 K
Solubility in water	0.2g/100g water (20°C)
Vapor pressure	7 mmHg (20°C)
Hazards
	GHS labelling:
Signal word	Warning
Hazard statements	H226
Flash point	32 °C; 89 °F; 305 K
Autoignition; temperature	380 °C (716 °F; 653 K)
Explosive limits	1–7.5% (20°C)
	Lethal dose or concentration (LD, LC):
LCLo (lowest published)	9200 ppm (guinea pig, 7 hr); 10,000 ppm (guinea pig, 5 hr)
	NIOSH (US health exposure limits):
PEL (Permissible)	TWA 125 ppm (650 mg/m3)
REL (Recommended)	TWA 125 ppm (650 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). Infobox references

<i>sec</i>-Amyl acetate

sec-Amyl acetate

Chemical compound

sec-Amyl acetate is an organic compound and an ester. It is formed in an esterification reaction of sec-amyl alcohol (2-pentanol) and acetic acid.^[2] It is a colorless liquid.

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This article uses material from the Wikipedia article Sec-Amyl_acetate, and is written by contributors. Text is available under a CC BY-SA 4.0 International License; additional terms may apply. Images, videos and audio are available under their respective licenses.

[PGCH-1] [1]
NIOSH Pocket Guide to Chemical Hazards. "#0032". National Institute for Occupational Safety and Health (NIOSH).

[pubchem-2] [2]
"2-Pentyl Acetate". PubChem. NCBI.

[3] [3]
"sec-Amyl acetate". Immediately Dangerous to Life or Health Concentrations (IDLH). National Institute for Occupational Safety and Health (NIOSH).

[2]

[1]

[3]

Names

Preferred IUPAC name Pentan-2-yl acetate
Other names 1-Methylbutyl acetate 2-Pentanol acetate 2-Pentyl ester of acetic acid
Identifiers
CAS Number	626-38-0^Y
3D model (JSmol)	Interactive image
ChemSpider	11775
ECHA InfoCard	100.009.952
PubChem CID	12278
UNII	B570113U4Q^Y
CompTox Dashboard (EPA)	DTXSID8052306
InChI InChI=1S/C7H14O2/c1-4-5-6(2)9-7(3)8/h6H,4-5H2,1-3H3 Key: GQKZRWSUJHVIPE-UHFFFAOYSA-N InChI=1/C7H14O2/c1-4-5-6(2)9-7(3)8/h6H,4-5H2,1-3H3 Key: GQKZRWSUJHVIPE-UHFFFAOYAN
SMILES CCCC(C)OC(C)=O
Properties
Chemical formula	C₇H₁₄O₂
Molar mass	130.187 g·mol⁻¹
Appearance	Colorless liquid^[1]
Odor	Mild,^[1] like bananas^[2]
Density	0.87 g/mL (20°C)^[1]
Melting point	−78 °C; −109 °F; 195 K^[1]
Boiling point	121 °C; 249 °F; 394 K^[1]
Solubility in water	0.2g/100g water (20°C)^[2]
Vapor pressure	7 mmHg (20°C)^[1]
Hazards
GHS labelling:
Signal word	Warning^[2]
Hazard statements	H226^[2]
Flash point	32 °C; 89 °F; 305 K^[1]
Autoignition temperature	380 °C (716 °F; 653 K)
Explosive limits	1–7.5% (20°C)^[1]
Lethal dose or concentration (LD, LC):
LC_Lo (lowest published)	9200 ppm (guinea pig, 7 hr) 10,000 ppm (guinea pig, 5 hr)^[3]
NIOSH (US health exposure limits):
PEL (Permissible)	TWA 125 ppm (650 mg/m³)^[1]
REL (Recommended)	TWA 125 ppm (650 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). Infobox references

Sec-Amyl_acetate

References

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