| Identification | More | [Name]
BUTYL VALERATE | [CAS]
591-68-4 | [Synonyms]
BUTYL PENTANOATE
BUTYL VALERATE
BUTYL VALERIANATE
FEMA 2217
N-BUTYL VALERATE
n-butyl pentanoate
n-Butyl-n-valerate
Pentanoic acid, butyl ester
Pentanoicacid,butylester
pentanoicacidbutylester
Valeric acid, butyl ester
BUTYL VALERATE 98+%
BUTYL VALERATE, NATURAL | [EINECS(EC#)]
209-728-5 | [Molecular Formula]
C9H18O2 | [MDL Number]
MFCD00015258 | [Molecular Weight]
158.24 | [MOL File]
591-68-4.mol |
| Chemical Properties | Back Directory | [Melting point ]
-92.8°C | [Boiling point ]
186-187 °C (lit.) | [density ]
0.868 g/mL at 25 °C(lit.)
| [FEMA ]
2217 | [refractive index ]
n20/D 1.412(lit.)
| [Fp ]
152 °F
| [storage temp. ]
Sealed in dry,Room Temperature | [form ]
clear liquid | [color ]
Colorless to Almost colorless | [Odor]
at 10.00 % in dipropylene glycol. sweet fruity pineapple green raspberry tropical | [biological source]
synthetic | [Odor Type]
fruity | [Water Solubility ]
83.87mg/L(25 ºC) | [JECFA Number]
160 | [Henry's Law Constant]
9.8×10-3 mol/(m3Pa) at 25℃, Plyasunov et al. (2004) | [Major Application]
flavors and fragrances | [InChI]
1S/C9H18O2/c1-3-5-7-9(10)11-8-6-4-2/h3-8H2,1-2H3 | [InChIKey]
OKJADYKTJJGKDX-UHFFFAOYSA-N | [SMILES]
CCCCOC(=O)CCCC | [LogP]
3.32 | [CAS DataBase Reference]
591-68-4(CAS DataBase Reference) | [EPA Substance Registry System]
Pentanoic acid, butyl ester (591-68-4) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H315-H319-H335 | [Precautionary statements ]
P305+P351+P338 | [Hazard Codes ]
Xi | [Risk Statements ]
R10:Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S16:Keep away from sources of ignition-No smoking .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [WGK Germany ]
3
| [TSCA ]
TSCA listed | [HS Code ]
2915600000 | [Storage Class]
10 - Combustible liquids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
Characteristic fruity (apple-raspberry) odor and corresponding sweet taste. | [Occurrence]
Reported found in fresh apple, bananas, blackberry, plum, whiskey, malt and Bourbon vanilla. | [Uses]
Butyl valerate USP reference standard, intended for use in specified quality tests and assays as specified in the USP compendia. | [Definition]
ChEBI: Butyl pentanoate is a fatty acid ester. | [Preparation]
By esterification of the acid with n-butyl alcohol in the presence of concentrated H2SO2 at the boil. | [Taste threshold values]
Taste characteristics at 10 ppm: sweet, pineapple, fruity, banana, ripe and tutti-frutti. | [Synthesis Reference(s)]
Tetrahedron, 49, p. 8169, 1993 DOI: 10.1016/S0040-4020(01)88036-4 |
|
| Company Name: |
J & K SCIENTIFIC LTD.
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| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
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RYSS TECH LTD
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400-188-0725 +86 21 34310725 13611771617 |
| Website: |
www.chemicalbook.com/ShowSupplierProductsList15256/0_EN.htm |
| Company Name: |
Sigma-Aldrich
|
| Telephone: |
021-61415566 800-8193336 |
| Website: |
https://www.sigmaaldrich.cn |
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