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General Presentation
-
CAS N° :
41519-23-7 -
EINECS number :
255-424-0 -
FEMA number :
3929 -
FLAVIS number :
09.563
-
JECFA number :
1275 -
Volatility :
Head -
Price Range :
€€€
Physico chemical properties
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Appearance :
Colorless liquid -
Density :
0,88 -
Refractive Index @20°C :
1,424 - 1,432 -
Optical rotation :
Data not available. -
Vapor pressure :
Data not available. -
Flash Point :
67°C
-
Molecular formula :
C10H18O2 -
Molecular Weight :
170,25 g/mol -
Log P :
3,52 -
Fusion Point :
Donnée indisponible. -
Boiling Point :
92°C -
Detection Threshold :
Donnée indisponible.
Chemistry & Uses
Uses in perfumery :
Brings naturalness to fruity notes. Thanks to its green (cut grass) and its yellow fruit facets, cis-3-hexenyl isobutyrate gives a ripe note to fruits. Interesting for the plum notes.
Suppliers recommend to use it below 1%.
Year of discovery :
Data not available.
Natural availability :
Reported found in guava, spearmint EO. Do not exist in its natural state but there is a nature identical quality for cis-3-Hexenyl IsoButyrate
Isomerism :
Cis-3-Hexenyl Isobutyrate is the positional isomer of cis-3-Hexenyl Butyrate and trans-2-Hexenyl Isobutyrate. The latter are less commonly used in perfumery, but have a similar odor. Trans-2-Hexenyl Isobutyrate has a more fruity and less green, apple-like smell. Trans-3-Hexenyl Isobutyrate, is not used in perfumery.
Synthesis precursor :
cis-3-Hexenyl IsoButyrate is not a precursor to the synthesis of another compound of olfactory interest.
Synthesis route :
Cis-3-Hexenyl Isobutyrate is synthesized by an esterification process between Isobutyric acid (or 2-methylpropanoic acid) and cis-3-Hexenol. This reaction involves acid catalysis using a small amount of a strong acid such as concentrated sulphuric acid.
Stability :
Les esters ont tendance à former leur acide correspondant en stabilité. Cis-3-Hexenyl IsoButyrate is particularly unstable in a shower gel and shampoo base.
Other comments :
Can be market with a trace of alpha tocopherol (0.1%) to prevent oxydation.
Regulations & IFRA
Allergens :
This ingredient does not contain any allergen.
IFRA 51th :
This ingredient is not restricted for the 51th amendment