| Identification | More | [Name]
Butyl levulinate | [CAS]
2052-15-5 | [Synonyms]
4-KETO-N-VALERIC ACID N-BUTYL ESTER
4-OXO-N-VALERIC ACID N-BUTYL ESTER
4-Oxo-pentanoic acid butyl ester
BUTYL 4-OXOVALERATE
BUTYL LEVULINATE
FEMA 2207
FEMA 22073
LEVULINIC ACID N-BUTYL ESTER
NBL
N-BUTYL LEVULINATE
PENTANOIC ACID, 4-OXO-, BUTYL ESTER
4-Ketopentanoic acid butyl ester
4-ketopentanoicacidbutylester
4-oxo-pentanoicacibutylester
Butyl 4-oxopentanoate
Butyl laevulinate
butyl4-oxopentanoate
butyllaevulinate
Levulinic acid, butyl ester
levulinicacid,butylester | [EINECS(EC#)]
218-143-4 | [Molecular Formula]
C9H16O3 | [MDL Number]
MFCD00009449 | [Molecular Weight]
172.22 | [MOL File]
2052-15-5.mol |
| Chemical Properties | Back Directory | [Appearance]
CLEAR YELLOW TO ORANGE-BROWN LIQUID | [Boiling point ]
106-108 °C5.5 mm Hg(lit.)
| [density ]
0.974 g/mL at 25 °C(lit.)
| [vapor pressure ]
5Pa at 25℃ | [FEMA ]
2207 | [refractive index ]
n20/D 1.427(lit.)
| [Fp ]
197 °F
| [storage temp. ]
Sealed in dry,2-8°C | [form ]
clear liquid | [color ]
Colorless to Almost colorless | [Specific Gravity]
0.974 | [Odor]
at 100.00 %. fruity herbal waxy caramel savory | [biological source]
synthetic | [Odor Type]
herbal | [Water Solubility ]
Slightly soluble in water. | [JECFA Number]
608 | [Cosmetics Ingredients Functions]
SOLVENT
SKIN CONDITIONING - EMOLLIENT
PERFUMING | [InChI]
1S/C9H16O3/c1-3-4-7-12-9(11)6-5-8(2)10/h3-7H2,1-2H3 | [InChIKey]
ISBWNEKJSSLXOD-UHFFFAOYSA-N | [SMILES]
CCCCOC(=O)CCC(C)=O | [LogP]
1.435 at 20℃ | [Surface tension]
31.37mN/m at 293.15K | [CAS DataBase Reference]
2052-15-5(CAS DataBase Reference) | [NIST Chemistry Reference]
Pentanoic acid, 4-oxo-, butyl ester(2052-15-5) | [EPA Substance Registry System]
2052-15-5(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Safety Statements ]
S24/25:Avoid contact with skin and eyes . | [WGK Germany ]
2
| [RTECS ]
OI1695000
| [Hazard Note ]
Irritant | [TSCA ]
Yes | [HS Code ]
29183000 | [Storage Class]
10 - Combustible liquids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2 |
| Hazard Information | Back Directory | [Chemical Properties]
Butyl levulinate has a sweet and slightly pungent caramellic odor with fruity undertones; mild sweet caramellicherbaceous
taste; bitter taste. | [Chemical Properties]
CLEAR YELLOW TO ORANGE-BROWN LIQUID | [Uses]
Butyl levulinate was used in the synthesis of γ-valerolactone. | [Uses]
Butyl levulinate was used in the synthesis of γ-valerolactone. | [Definition]
ChEBI: Butyl levulinate is an oxo carboxylic acid. | [Production Methods]
Butyl levulinate can be produced by direct esterificalion of n-Butyl
alcohol with Levulinic acid. | [Synthesis Reference(s)]
Tetrahedron Letters, 31, p. 3063, 1990 DOI: 10.1016/S0040-4039(00)89026-7 | [Flammability and Explosibility]
Notclassified |
| Questions And Answer | Back Directory | [Aroma]
Sweet and slightly pungent-caramellic odor
with fruity undertones. Overall warm and almost herbaceous with some similarity to
Valerolactone.
Mild, sweet, caramellic-herbaceous taste. |
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