| Identification | More | [Name]
Isopentyl formate | [CAS]
110-45-2 | [Synonyms]
3-METHYLBUTYL FORMATE
AMYL FORMATE
FEMA 2069
FORMIC ACID ISOAMYL ESTER
FORMIC ACID ISOPENTYL ESTER
ISOAMYL FORMATE
ISOPENTYL FORMATE
ISOPENTYL METHANOATE
lsoamyl formate
PENTYL ISO FORMATE
1-Butanol,3-methyl-,formate
3-methyl-1-butanoformate
3-methyl-1-butylformate
formicacid3-methylbutylester
formicacid3-methyl-butylester
Isoamyl methanoate
isoamylmethanoate
Isopentyl alcohol, formate
isopentylalcohol,formate
Iso-Pentylformate,3-Methylbutylformate | [EINECS(EC#)]
252-343-2 | [Molecular Formula]
C6H12O2 | [MDL Number]
MFCD00021049 | [Molecular Weight]
116.16 | [MOL File]
110-45-2.mol |
| Chemical Properties | Back Directory | [Appearance]
Colorless liquid; fruity odor.Partially soluble in water; soluble in
alcohol and ether. Combustible. | [Melting point ]
-93°C | [Boiling point ]
123-124 °C (lit.) | [density ]
0.859 g/mL at 25 °C(lit.)
| [vapor pressure ]
10 mm Hg ( 17.1 °C)
| [FEMA ]
2069 | [refractive index ]
n20/D 1.397(lit.)
| [Fp ]
86 °F
| [form ]
clear liquid | [color ]
Colorless to Almost colorless | [Odor]
at 10.00 % in dipropylene glycol. plum black currant ethereal vinous dry earthy fruit green | [explosive limit]
8% | [Odor Type]
green | [JECFA Number]
42 | [Merck ]
5119 | [BRN ]
1739893 | [InChIKey]
XKYICAQFSCFURC-UHFFFAOYSA-N | [LogP]
1.72 | [Uses]
Isoamyl Formate is a synthetic flavoring agent that is a moderately stable, colorless to light yellow liquid of pungent pear-plum odor, being soluble in most fixed oils, mineral oil, and propylene glycol. Storage should be in a glass or tin container. It is used in fruit flavors such as pear, plum, and peach for application in dessert gels, puddings, candy, and ice cream at 14–28 ppm. | [CAS DataBase Reference]
110-45-2(CAS DataBase Reference) | [NIST Chemistry Reference]
1-Butanol, 3-methyl-, formate(110-45-2) | [EPA Substance Registry System]
110-45-2(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R10:Flammable.
R36/37:Irritating to eyes and respiratory system . | [Safety Statements ]
S24:Avoid contact with skin .
S2:Keep out of the reach of children . | [RIDADR ]
UN 1109 3/PG 3
| [WGK Germany ]
1
| [RTECS ]
NT0185000
| [HazardClass ]
3.2 | [PackingGroup ]
III | [HS Code ]
29151300 | [Toxicity]
LD50 orally in rats: 9840 mg/kg, P. M. Jenner et al., Food Cosmet. Toxicol. 2, 327 (1964) |
| Hazard Information | Back Directory | [Hazard]
Strong irritant. | [Description]
Isoamyl formate has a fruity, characteristic odor suggestive of
black currant and plum with a corresponding sweet taste. May be
prepared by reacting concentrated H2S04 over a mixture of
isoamyl alcohols and sodium formate. | [Chemical Properties]
Colorless liquid; fruity odor.Partially soluble in water; soluble in
alcohol and ether. Combustible. | [Chemical Properties]
Isoamyl formate has a plum, fruity characteristic odor suggestive of black currant, with a corresponding sweet taste.
| [Occurrence]
Reported found in apple, pineapple, strawberry, vinegar, Gruyere cheese, chicken fat, beer, cognac, rum, cider,
port wine, tea, honey, avocado, plumcot, mango, quince and sea buckthorn (Hippophae rhamnoides L.) | [Definition]
ChEBI: The formate ester of isoamylol. | [Preparation]
By reacting concentrated H2SO4 over a mixture of isoamyl alcohols and sodium formate.
| [Taste threshold values]
Taste characteristics at 15 ppm: sharp green, apple and fruity with winey, fatty notes | [Purification Methods]
The colourless liquid ester is soluble in 300 volumes of H2O and is soluble in common organic solvents. It is purified by repeated distillation using an efficient column at atmospheric pressure. [Beilstein 2 H 22, 2 I 18, 2 II 31, 2 III 43, 2 IV 30.] |
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