Name | cis-3-Hexenyl butyrate |
Synonyms | Leaf butyrate 3-hexenylbutyrate 3(Z)-hexenyl butanoate cis-3-Hexenyl butyrate (Z)-3-hexenyl butanoate (3Z)-3-Hexenyl butyrate (Z)-Hex-3-enyl butanoate (Z)-3-Hexen-1-yl butanoate (Z)-3-Hexen-1-ol, butanoate 3-hexenylester,(z)-butanoicaci Butanoic acid,(3Z)-3-hexen-1-yl ester |
CAS | 16491-36-4 |
EINECS | 240-553-7 |
InChI | InChI=1/C10H18O2/c1-3-5-6-7-9-12-10(11)8-4-2/h5-6H,3-4,7-9H2,1-2H3/b6-5- |
Molecular Formula | C10H18O2 |
Molar Mass | 170.249 |
Density | 0.892g/cm3 |
Boling Point | 217.1°C at 760 mmHg |
Flash Point | 79°C |
Vapor Presure | 0.135mmHg at 25°C |
Refractive Index | 1.439 |
Physical and Chemical Properties | The chemical properties are colorless to light yellow liquid, showing the green fragrance of fresh fruits, with a slight cream-like aroma. Boiling point 192 ℃. The relative density (d425) is 0.899 and the refractive index (nD20) is 1.4318. Several insoluble in water, soluble in ethanol and propylene glycol, miscible in oils. Natural products are found in orange, lemon peel, coriander seed, egg fruit, etc. |
Use | Uses GB 2760 1996 provides food flavors that are temporarily allowed to be used. For strawberry, apple, pear, tropical fruit, citrus flavor. |
Hazard Symbols | Xi - Irritant |
Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. |
Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. |
Raw Materials | Butyric Acid Leaf alcohol CIS-3-HEXENE Ethyl butyrate |
WGK Germany | 2 |
FEMA | 3402 | CIS-3-HEXENYL BUTYRATE |
refractive index | n20/D 1.431(lit.) |
flash point | 174 °F |
storage conditions | Inert atmosphere,Room Temperature |
Specific gravity | 0.885 |
JECFA Number | 157 |
InChIKey | ZCHOPXVYTWUHDS-WAYWQWQTSA-N |
NIST chemical information | Butanoic acid, 3-hexenyl ester, (z)-(16491-36-4) |
EPA chemical information | (Z)-3-Hexenyl butyrate (16491-36-4) |
Toxicity
GRAS(FEMA).
use limited
FEMA(mg/kg): soft drink 0.5; Cold drinks, jelly, pudding, 5.0; Candy 10.0.
production method
It is formed by direct esterification of cis-3-hexenol and n-butyric acid under azeotropic conditions.