| Identification | More | [Name]
Ethyl valerate | [CAS]
539-82-2 | [Synonyms]
ETHYL N-PENTANOATE
ETHYL N-VALERATE
ETHYL PENTANOATE
ETHYL VALERATE
Ethyl valerianate
FEMA 2462
N-VALERIC ACID ETHYL ESTER
PENTANOIC ACID ETHYL ESTER
RARECHEM AL BI 0163
VALERIC ACID ETHYL ESTER
Athylvalerianat
ETHYL VALERATE 98+%
ETHYL VALERATE GC STANDARD
EthylvalerateFCC
ethylvalerate,ethylpentanoate
VALERIC ACID ETHYLESTER(SG)
ETHYL-n-VALERATE, NATURAL
Pentanoic acid ethyl
Valeric acid ethyl | [EINECS(EC#)]
208-726-1 | [Molecular Formula]
C7H14O2 | [MDL Number]
MFCD00009479 | [Molecular Weight]
130.18 | [MOL File]
539-82-2.mol |
| Chemical Properties | Back Directory | [Appearance]
clear colorless liquid | [Melting point ]
-92--90°C | [Boiling point ]
144-145 °C (lit.) | [density ]
0.875 g/mL at 25 °C(lit.)
| [vapor pressure ]
3-27.3hPa at 20-50℃ | [FEMA ]
2462 | [refractive index ]
n20/D 1.401(lit.)
| [Fp ]
102 °F
| [storage temp. ]
Flammables area | [solubility ]
2.23g/l | [form ]
Liquid | [color ]
Clear colorless | [Odor]
at 10.00 % in dipropylene glycol. sweet fruity apple pineapple green tropical | [biological source]
synthetic | [explosive limit]
1%(V) | [Odor Threshold]
0.00011ppm | [Odor Type]
fruity | [Water Solubility ]
2.226g/L(temperature not stated) | [Thermal Conductivity]
0.132 W/(m·K) at 25 ℃ | [JECFA Number]
30 | [Merck ]
14,9904 | [BRN ]
1744680 | [Henry's Law Constant]
2.3×10-2 mol/(m3Pa) at 25℃, Plyasunov et al. (2004) | [Dielectric constant]
4.7（18℃） | [Cosmetics Ingredients Functions]
PERFUMING | [InChI]
1S/C7H14O2/c1-3-5-6-7(8)9-4-2/h3-6H2,1-2H3 | [InChIKey]
ICMAFTSLXCXHRK-UHFFFAOYSA-N | [SMILES]
CCCCC(=O)OCC | [LogP]
2.3 at 22℃ and pH7 | [CAS DataBase Reference]
539-82-2(CAS DataBase Reference) | [NIST Chemistry Reference]
Pentanoic acid, ethyl ester(539-82-2) | [EPA Substance Registry System]
539-82-2(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS02 | [Signal word ]
Warning | [Hazard statements ]
H226 | [Precautionary statements ]
P210-P240-P241-P280a-P303+P361+P353-P501a | [Risk Statements ]
R10:Flammable. | [Safety Statements ]
S16:Keep away from sources of ignition-No smoking . | [RIDADR ]
UN 3272 3/PG 3
| [WGK Germany ]
3
| [Autoignition Temperature]
400°C | [TSCA ]
Yes | [REACH Registrations]
Active | [HazardClass ]
3 | [PackingGroup ]
III | [HS Code ]
29156090 | [Storage Class]
3 - Flammable liquids | [Hazard Classifications]
Flam. Liq. 3 |
| Hazard Information | Back Directory | [Chemical Properties]
clear colorless liquid | [Chemical Properties]
Ethyl valerate has a fruity odor suggestive of apple | [Occurrence]
Reported found in apples, bananas, guava, strawberry, cheeses, rum, whiskey, cider, sherry, grape wines,
cocoa, coffee, honey and passion fruit, apricot, guava fruit and pineapple. | [Uses]
Intermediate in perfumery. | [Definition]
ChEBI: Ethyl pentanoate is a fatty acid ester. | [Preparation]
By refluxing valeric acid and ethyl alcohol in the presence of concentrated H2SO4.
| [Aroma threshold values]
Detection: 1.5 to 5 ppb | [Taste threshold values]
Taste characteristics at 30 ppm: fruity, strawberry, sweet, estry, fruity, pineapple, and tropical fruit. | [Synthesis Reference(s)]
Canadian Journal of Chemistry, 58, p. 2271, 1980 DOI: 10.1139/v80-365
The Journal of Organic Chemistry, 54, p. 4848, 1989 DOI: 10.1021/jo00281a029 | [General Description]
Ethyl valerate is also known as the green apple flavor. Microwave spectrum of ethyl valerate, observed by molecular beam Fourier transform microwave spectroscopy, has been reported. |
| Questions And Answer | Back Directory | [Aroma]
Powerful and diffusive, ethereal-fruity,
Apple-like odor with a remote resemblance to
Pineapple. Esters with traces of free acids will
show this very perceptibly in the odor, not so
conspicuously in the flavor (in aqueous media).
Sweet and somewhat pungent-fruity, AppleIike, almost "gassy"-ethereal taste. In extreme
dilution, the taste is merely sweet fruity. |
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