cis-3-Hexenyl 2-methylbutanoate Chemical Properties

Melting point:

-58.7°C (estimate)

Boiling point:

228.24°C (estimate)

Density 

0.878 g/mL at 25 °C(lit.)

refractive index 

n20/D 1.432(lit.)

FEMA 

3497 | 3-HEXENYL 2-METHYLBUTANOATE

Flash point:

182 °F

storage temp. 

Sealed in dry,2-8°C

solubility 

Insoluble in water, soluble in alcohol and oils.

form 

clear liquid

color 

Colorless to Almost colorless

Odor

at 10.00 % in propylene glycol. fresh green apple sweet fruity pear

Odor Type

green

InChIKey

JKKGTSUICJWEKB-SREVYHEPSA-N

LogP

3.83

CAS DataBase Reference

53398-85-9(CAS DataBase Reference)

EPA Substance Registry System

(Z)-3-Hexenyl 2-methylbutyrate (53398-85-9)

Safety Information

Hazard Codes 

N

Risk Statements 

51/53

Safety Statements 

61

RIDADR 

UN 3077 9/PG 3

WGK Germany 

2

HS Code 

29156000

MSDS

• Language:English Provider:SigmaAldrich

cis-3-Hexenyl 2-methylbutanoate Usage And Synthesis

Chemical Properties

cis-3-Hexenyl-2-methylbutyrate has a strong, warm, fruity odor like unripe apple and pineapple. It has a sweet, applelike taste

Occurrence

Reported found in apricot, scotch, spearmint, menthe oils, fresh plum and black tea

Definition

ChEBI: Cis-3-Hexenyl 2-methylbutanoate is a fatty acid ester.

Application

In spite of the “unripe” odour in high concentration, Cis-3-Hexenyl 2-methylbutanoate produces very “ripe” fruity notes in dilutions and combinations with suitable blenders. It has good tenacity. It is found in perfume compositions and artificial essential oils as a “naturalized” freshener-modifier for the greener notes of lower esters of Hexcnol. It blends particularly well with Lavender, Lavandin, Clary Sage and Geranium. In flavours, it offers good opportunities for variation of the Apple and Pine-apple themes with conventional materials; in Plum, Peach and Apricot, where overly sweet fruity notes may be prevalent, it will supply sufficient freshness to compensate for those heavy Aromas of other chemicals. Esters of alpha- Mcthylbutyric acid have become quite popular since more and more such esters have been identified in natural products. Approved for use in food flavours by the American F. R. 1965.

Application

Cis-3-Hexenyl 2-methyl butanoate is produced from cis-3-Hcxenol by esterification with alpha-Methylbutync acid under azeotropic conditions.

Taste threshold values

Taste characteristics at 10 ppm: green, fruity, sweet, juicy and pear-like with vegetative nuances

cis-3-Hexenyl 2-methylbutanoate(53398-85-9)Related Product Information

• Hydrocortisone-17-butyrate
• 2-Methyl butyric acid
• Poly(methyl methacrylate)
• Dimethyl 2,2'-azobis(2-methylpropionate)
• CELLULOSE ACETATE BUTYRATE
• Butyric Acid
• Sucrose acetate isobutyrate
• Indole-3-butyric acid
• Octadecyl methacrylate
• Methyl propiolate
• 4-Aminobutyric acid
• MCPB
• Tributyrin
• 2,2-Bis(hydroxymethyl)butyric acid
• Chlorambucil
• Lovastatin sodium salt
• 2-Cyanopyrimidine
• Lovastatin