| Identification | More | [Name]
cis-3-Hexenyl 2-methylbutanoate | [CAS]
53398-85-9 | [Synonyms]
2-METHYLBUTYRIC ACID CIS-3-HEXEN-1-YL ESTER
C3 HEXENYL 2 METHYL BUTYRATE
CIS-3-HEXEN-1-YL 2-METHYLBUTYRATE
CIS-3-HEXENYL 2-METHYLBUTANOATE
(+/-)-CIS-3-HEXENYL 2-METHYLBUTYRATE
CIS-3-HEXENYL-2-METHYL BUTYRATE
CIS-3-HEXENYL ALPHA METHYL BUTYRATE
FEMA 3497
HEXENYL-CIS-3-2-METHYLBUTYRATE
(Z)-3-HEXEN-1-OL 2-METHYLBUTANOATE
2-methyl-,3-hexenylester,(z)-butanoicaci
2-methyl-,3-hexenylester,(Z)-Butanoicacid
methylbutyricacidcishexenylester
(Z)-hex-3-enyl 2-methylbutyrate
HEXENYL CIS 3 2 METHYL BUTYRATE FCC
(Z)-3-hexenyl-2-methylbutanoate,(3Z)-3-hexenylester-2-methyl-butanoicacid,cis-3-hexenyl-2-methylbutyrate,(Z)-3-hexenyl-2-methylbutyrate
Butanoic acid, 2-methyl-, (3Z)-3-hexenyl ester
CIS-3-HEXENYL-A-METHYL BUTYRATE
2-METHYLBUTYRIC ACID CIS-3-HEXEN-1-YL ESTER 90+%
β-D-GlcNAc-1-OCH2Ph, Benzyl N-acetyl-β-D-glucosaminide | [EINECS(EC#)]
233-224-4 | [Molecular Formula]
C11H20O2 | [MDL Number]
MFCD00036530 | [Molecular Weight]
184.28 | [MOL File]
53398-85-9.mol |
| Chemical Properties | Back Directory | [Melting point ]
-58.7°C (estimate) | [Boiling point ]
228.24°C (estimate) | [density ]
0.878 g/mL at 25 °C(lit.)
| [FEMA ]
3497 | [refractive index ]
n20/D 1.432(lit.)
| [Fp ]
182 °F
| [storage temp. ]
−20°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 | [Cosmetics Ingredients Functions]
PERFUMING | [InChIKey]
JKKGTSUICJWEKB-SREVYHEPSA-N | [LogP]
3.83 | [CAS DataBase Reference]
53398-85-9(CAS DataBase Reference) | [EPA Substance Registry System]
53398-85-9(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
N | [Risk Statements ]
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment . | [Safety Statements ]
S61:Avoid release to the environment. Refer to special instructions safety data sheet . | [RIDADR ]
UN 3077 9/PG 3
| [WGK Germany ]
2
| [HS Code ]
29156000 |
| Hazard Information | Back Directory | [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 | [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. | [Definition]
ChEBI: Cis-3-Hexenyl 2-methylbutanoate is a fatty acid ester. | [Taste threshold values]
Taste characteristics at 10 ppm: green, fruity, sweet, juicy and pear-like with vegetative nuances |
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