Name | 1-OCTEN-3-YL BUTYRATE |
Synonyms | FEMA 3612 1-octen-3-olbutyrate 1-pentylallylbutyrate 1-OCTEN-3-YL BUTYRATE l-Octen-3-yl butyrate 1-OCTEN-3-YLBUTYRATEFCC oct-1-en-3-yl butanoate Amylvinylcarbinyl butyrate butyricacid,1-vinylhexylester butanoicacid,1-ethenylhexylester Butanoic acid 1-octen-3-yl ester |
CAS | 16491-54-6 |
EINECS | 240-555-8 |
InChI | InChI=1/C12H22O2/c1-4-7-8-10-11(6-3)14-12(13)9-5-2/h6,11H,3-5,7-10H2,1-2H3 |
Molecular Formula | C12H22O2 |
Molar Mass | 198.3 |
Density | 0.87 g/mL at 25 °C (lit.) |
Melting Point | 225-229°C(lit.) |
Boling Point | 225-229°C(lit.) |
Flash Point | 210°F |
JECFA Number | 1837 |
Vapor Presure | 0.0244mmHg at 25°C |
Refractive Index | n20/D 1.4295(lit.) |
Physical and Chemical Properties | WGK Germany:2 RTECS:ET7030000 |
WGK Germany | 2 |
RTECS | ET7030000 |
Toxicity | GRAS(FEMA)。 |
content analysis | determined by method 1 in ester determination method (OT-18). The sample amount taken is 1.5g. The equivalent factor (e) in the calculation is 99.16. |
toxicity | GRAS(FEMA). |
usage limit | FEMA(mg/kg): baked goods 5.0; Cold drink 3.0; Candy 1.0; Pudding 2.0; Soft drink 2.0; Candied fruit 1.0; Artificial dairy 2.0; Hard candy 3.0; Gum candy 5.0; Breakfast cereal 5.0; Grease 1.0; Dairy 2.0; Fruit icing 2.0; Candy and frosting 2.0; jam and jelly 1.0; Sugar substitute 2.0. |
Chemical properties | Almost colorless liquid. It has a metallic and earthy taste. Soluble in ethanol and most non-volatile oils, slightly soluble in propylene glycol, insoluble in water. |
use | GB 2760-1996 stipulates that edible spices are allowed to be used. Mainly used to prepare mushroom and other flavors. |
Production method | It is formed by Grignda reaction of pentyl magnesium bromide and allyl alcohol, and then esterified with n-butyric acid. It can also be obtained by reducing the corresponding enone and esterifying with n-butyric acid. |
EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |