Isoamyl formate

Isoamyl formate
Names
	Preferred IUPAC name 3-Methylbutyl formate
	Systematic IUPAC name 3-Methylbutyl formate
	Other names Isopentyl formate; Isopentyl methanoate; Isoamyl formate
Identifiers
CAS Number	110-45-2 ;
3D model (JSmol)	Interactive image;
Beilstein Reference	1739893
ChEBI	CHEBI:31726 ;
ChEMBL	ChEMBL42013 ;
ChemSpider	7761 ;
ECHA InfoCard	100.003.428
EC Number	203-769-2;
KEGG	C12293 ;
PubChem CID	8052;
UNII	50L53EN043 ;
CompTox Dashboard (EPA)	DTXSID00861734 ;
	InChI InChI=1S/C6H12O2/c1-6(2)3-4-8-5-7/h5-6H,3-4H2,1-2H3 Key: XKYICAQFSCFURC-UHFFFAOYSA-N;
	SMILES CC(C)CCOC=O;
Properties
Chemical formula	C6H12O2
Molar mass	116.160 g·mol−1
Appearance	Colorless liquid
Odor	fruity (plum, blackcurrant)
Density	0.881−0.889 g/cm3
Melting point	−93.5 °C (−136.3 °F; 179.7 K)
Boiling point	123.00 to 124.00 °C (253.40 to 255.20 °F; 396.15 to 397.15 K)
Solubility in water	3.5 g/L at 25 °C
Solubility	soluble in ethanol, most fixed oils and propylene glycol;; insoluble in glycerol
Vapor pressure	9.97 mmHg (20 °C); 13.4 mmHg (25 °C)
Refractive index (nD)	1.396−1.400
Hazards
	GHS labelling:
Pictograms
Signal word	Danger
Hazard statements	H225, H319, H335
Precautionary statements	P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P319, P337+P317, P370+P378, P403+P233, P403+P235, P405, P501
Flash point	27 °C
	Lethal dose or concentration (LD, LC):
LD50 (median dose)	9840 mg/kg (oral, rat); 3020 mg/kg (oral, rabbit); >5 g/kg (dermal, rabbit);
Related compounds
Related compounds	Isoamyl acetate
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Isoamyl formate, also known as isopentyl formate, is an ester formed from isoamyl alcohol and formic acid, with the formula C₆H₁₂O₂. It is a colorless liquid with a fruity odor of plum or blackcurrant.

Names



Preferred IUPAC name 3-Methylbutyl formate
Systematic IUPAC name 3-Methylbutyl formate
Other names Isopentyl formate Isopentyl methanoate Isoamyl formate
Identifiers
CAS Number	110-45-2^Y
3D model (JSmol)	Interactive image
Beilstein Reference	1739893
ChEBI	CHEBI:31726^Y
ChEMBL	ChEMBL42013^Y
ChemSpider	7761^Y
ECHA InfoCard	100.003.428
EC Number	203-769-2
KEGG	C12293^Y
PubChem CID	8052
UNII	50L53EN043^Y
CompTox Dashboard (EPA)	DTXSID00861734
InChI InChI=1S/C6H12O2/c1-6(2)3-4-8-5-7/h5-6H,3-4H2,1-2H3 Key: XKYICAQFSCFURC-UHFFFAOYSA-N
SMILES CC(C)CCOC=O
Properties
Chemical formula	C₆H₁₂O₂
Molar mass	116.160 g·mol⁻¹
Appearance	Colorless liquid
Odor	fruity (plum, blackcurrant)
Density	0.881−0.889 g/cm³
Melting point	−93.5 °C (−136.3 °F; 179.7 K)
Boiling point	123.00 to 124.00 °C (253.40 to 255.20 °F; 396.15 to 397.15 K)
Solubility in water	3.5 g/L at 25 °C
Solubility	soluble in ethanol, most fixed oils and propylene glycol; insoluble in glycerol
Vapor pressure	9.97 mmHg (20 °C) 13.4 mmHg (25 °C)
Refractive index (n_D)	1.396−1.400
Hazards
GHS labelling:
Pictograms
Signal word	Danger
Hazard statements	H225, H319, H335
Precautionary statements	P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P319, P337+P317, P370+P378, P403+P233, P403+P235, P405, P501
Flash point	27 °C
Lethal dose or concentration (LD, LC):
LD₅₀ (median dose)	9840 mg/kg (oral, rat) 3020 mg/kg (oral, rabbit) >5 g/kg (dermal, rabbit)
Related compounds
Related compounds	Isoamyl acetate
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references