| Identification | Back Directory | [Name]
Isobornyl isobutyrate | [CAS]
85586-67-0 | [Synonyms]
ISO BORNYL ISO BUTYRATE
exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl isobutyrate
[(4R)-1,7,7-Trimethyl-5-bicyclo[2.2.1]heptanyl] 2-methylpropanoate
Propanoic acid, 2-methyl-, (1R,2R,4R)-1,7,7-trimethylbicyclo2.2.1hept-2-yl ester, rel- | [EINECS(EC#)]
287-872-8 | [Molecular Formula]
C14H24O2 | [MDL Number]
MFCD03424217 | [MOL File]
85586-67-0.mol | [Molecular Weight]
224.34 |
| Chemical Properties | Back Directory | [Boiling point ]
244.0±8.0 °C(Predicted) | [density ]
0.98±0.1 g/cm3(Predicted) | [FEMA ]
4146 | ISOBORNYL ISOBUTYRATE | [solubility ]
Insoluble in water, almost insoluble in Propylene glycol and Glycenn, soluble in alcohol and oils. | [Odor]
at 100.00 %. balsam herbal fir needle spicy earthy woody | [Odor Type]
balsamic | [JECFA Number]
1863 | [Major Application]
flavors and fragrances | [InChI]
1S/C14H24O2/c1-9(2)12(15)16-11-8-10-6-7-14(11,5)13(10,3)4/h9-11H,6-8H2,1-5H3/t10-,11-,14+/m1/s1 | [InChIKey]
KRKIAJBQOUBNSE-GYSYKLTISA-N | [SMILES]
O([C@H]1[C@]2(C([C@@H](C1)CC2)(C)C)C)C(=O)C(C)C | [LogP]
4.48 | [EPA Substance Registry System]
Propanoic acid, 2-methyl-, (1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, rel- (85586-67-0) |
| Hazard Information | Back Directory | [Chemical Properties]
Colorless oily liquid. Insoluble in water.Sp.Gr. 0.97.B.P. 239° C
| [Uses]
Isobornyl isobutyrate is suggested for use in perfume compositions, where its odor might fall well into the picture of Iow cost Chypre, Fougere, Sage, etc. It is comparatively rare on the market and may well escape the noses of many perfumers. It is one of many chemicals that they probably would not lack in a whole life of practice.
| [Definition]
ChEBI: Isobornyl isobutyrate is a monoterpenoid. | [Preparation]
Isobornyl isobutyrate is prepared by esterification of isa-Borneol.
| [Solubility in organics]
Almost insoluble in Propylene glycol and Glycenn, soluble in alcohol and oils.
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