Name | hexyl butyrate |
Synonyms | hexyl butyrate 1-hexylbutyrate hexyl butanoate 1-Hexyl butyrate n-hexylbutanoate Hexyl N-Butyrate Hexyl butyrate63 n-Hexyl butanoate n-Hexyl n-butyrate Butanoicacid,hexylester Natural Hexyl Butyrate n-Butyric acid n-hexyl ester |
CAS | 2639-63-6 |
EINECS | 220-136-6 |
InChI | InChI=1/C10H20O2/c1-3-5-6-7-9-12-10(11)8-4-2/h3-9H2,1-2H3 |
Molecular Formula | C10H20O2 |
Molar Mass | 172.26 |
Density | 0.851g/mLat 25°C(lit.) |
Melting Point | -78°C |
Boling Point | 205°C(lit.) |
Flash Point | 178°F |
JECFA Number | 153 |
Water Solubility | 20.3mg/L at 20℃ |
Vapor Presure | 30Pa at 20℃ |
Appearance | Clear Liquid |
Color | Colorless to Almost colorless |
Storage Condition | Store below +30°C. |
Refractive Index | n20/D 1.417(lit.) |
MDL | MFCD00048884 |
Physical and Chemical Properties | Colorless liquid, with a strong mixture of fruit aroma and pineapple aroma. Melting Point -78 °c, boiling point 208 °c, relative density (d30)0.8567. Natural products exist in lavender, lavender and other essential oils and apricot, guava, cranberry, papaya, plum, etc. |
Risk Codes | 10 - Flammable |
Safety Description | 16 - Keep away from sources of ignition. |
UN IDs | 3272 |
WGK Germany | 2 |
RTECS | ET4203000 |
HS Code | 2915 60 19 |
Toxicity | LD50 orally in Rabbit: > 5000 mg/kg LD50 dermal Rabbit > 5000 mg/kg |
FEMA | 2568 | HEXYL BUTYRATE |
LogP | 4.4 at 35℃ |
NIST chemical information | Information provided by: webbook.nist.gov (external link) |
EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
toxicity | GRAS(FEMA). |
usage limit | FEMA(mg/kg): soft drink 2.6; Cold drink 2.1; Candy 7.8; Baked food 8.6. Moderate limit (FDA § 172.515,2000). |
use | GB 2760-96 specifies edible spices allowed to be used. The main horn is to prepare flavors such as pineapple, apple, citrus, melon, kiwi fruit, pear and strawberry. |
Production method | It is made by esterification of butyric acid and n-hexanol in the presence of hydrochloric acid. |