Cis-3-Hexenyl isobutyrate (CAS N° 41519-23-7)

Photo credits: ScenTree SAS

Green > Cut Grass > Green Fruits > Butyric

Cis-3-Hexenyl isobutyrate

Verdural B Extra ; [(Z)-hex-3-enyl] 2-methylpropanoate ; Propanoic acid ; 2-methyl-3-hexenyl ester

Photo credits: ScenTree SAS

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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

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.

Cis-3-Hexenyl isobutyrate

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General Presentation

CAS N° :

EINECS number :

FEMA number :

FLAVIS number :

JECFA number :

Volatility :

Price Range :

Physico chemical properties

Appearance :

Density :

Refractive Index @20°C :

Optical rotation :

Vapor pressure :

Flash Point :

Molecular formula :

Molecular Weight :

Log P :

Fusion Point :

Boiling Point :

Detection Threshold :

Chemistry & Uses

Uses in perfumery :

Year of discovery :

Natural availability :

Isomerism :

Synthesis precursor :

Synthesis route :

Stability :

Other comments :

Regulations & IFRA

Allergens :

IFRA 51^th :

Cis-3-Hexenyl isobutyrate

I buy this ingredient

I buy this ingredient

General Presentation

CAS N° :

EINECS number :

FEMA number :

FLAVIS number :

JECFA number :

Volatility :

Price Range :

Physico chemical properties

Appearance :

Density :

Refractive Index @20°C :

Optical rotation :

Vapor pressure :

Flash Point :

Molecular formula :

Molecular Weight :

Log P :

Fusion Point :

Boiling Point :

Detection Threshold :

Chemistry & Uses

Uses in perfumery :

Year of discovery :

Natural availability :

Isomerism :

Synthesis precursor :

Synthesis route :

Stability :

Other comments :

Regulations & IFRA

Allergens :

IFRA 51th :

IFRA 51^th :