Name | Methylbutyricacidcishexenylester |
Synonyms | 2-Methyl ester acid leaves C3 HEXENYL 2 METHYL BUTYRATE CIS-3-HEXENYL-2-METHYL BUTYRATE Methylbutyricacidcishexenylester CIS-3-HEXENYL ALPHA METHYL BUTYRATE 2-Methylbutyric acid (Z)-3-hexenyl ester 2-Methylbutanoic acid (Z)-3-hexenyl ester 2-Methylbutanoic acid (3Z)-3-hexenyl ester |
CAS | 53398-85-9 |
EINECS | 258-517-4 |
InChI | InChI=1/C11H20O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h6-7,10H,4-5,8-9H2,1-3H3/b7-6- |
InChIKey | JKKGTSUICJWEKB-SREVYHEPSA-N |
Molecular Formula | C11H20O2 |
Molar Mass | 184.28 |
Density | 0.878g/mLat 25°C(lit.) |
Melting Point | -58.7°C (estimate) |
Boling Point | 228.24°C (estimate) |
Flash Point | 182°F |
Appearance | clear liquid |
Color | Colorless to Almost colorless |
Storage Condition | Sealed in dry,2-8°C |
Refractive Index | n20/D 1.432(lit.) |
Physical and Chemical Properties | Several colorless liquids. The aroma was blue and fragrant, with strong unripe apple-like aroma and black pepper-like aroma. Flash point 67.2 °c. Soluble in ethanol and most non-volatile oils, insoluble in water. Natural products are found in apricot, peppermint oil, fresh plum, black tea, etc. |
Hazard Symbols | N - Dangerous for the environment |
Risk Codes | 51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. |
Safety Description | 61 - Avoid release to the environment. Refer to special instructions / safety data sheets. |
UN IDs | UN 3077 9/PG 3 |
WGK Germany | 2 |
HS Code | 29156000 |
FEMA | 3497 | 3-HEXENYL 2-METHYLBUTANOATE |
EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
content analysis | gas chromatography with polar column according to GT-10-4. |
toxicity | GRAS(FEMA). |
usage limit | FEMA(mg/kg): soft drink 14; Cold drink 16; Candy 28.7; Baked food 37; Pudding 14.7; Gum candy 0.57; Wine 7.0. Moderates are limited (FDA § 172.515,2000). |
use | GB 2760-9 6 specifies edible spices that are allowed to be used. It is mainly used to prepare kiwi fruit, apricot, plum, strawberry, tropical fruit, pear, apple, banana and other flavors and mixed spices. |
Production method | It is made by esterification of cis-3-hexenol and-methylbutyric acid. |