正丁酸异丁酯
isobutyl butyrate
CAS: 539-90-2
Molecular Formula: C8H16O2
正丁酸异丁酯 - Names and Identifiers
正丁酸异丁酯 - Physico-chemical Properties
| Molecular Formula | C8H16O2 |
| Molar Mass | 144.21 |
| Density | 0.861g/mLat 25°C(lit.) |
| Melting Point | -88.07°C (estimate) |
| Boling Point | 157-158°C(lit.) |
| Flash Point | 114°F |
| JECFA Number | 158 |
| Vapor Presure | 2.91mmHg at 25°C |
| Vapor Density | 5 (vs air) |
| Appearance | neat |
| Color | Colorless to Almost colorless |
| Merck | 14,5136 |
| Refractive Index | n20/D 1.403(lit.) |
| Physical and Chemical Properties | Colorless liquid. There are apples and pineapple fruit-like aroma and sweet taste. Soluble in ethanol and most non-volatile oils, slightly soluble in water, insoluble in glycerol. Boiling point 157 °c. Isobutyl butyrate is a metabolite of rifampicin, a Rifamycin antibiotic. |
正丁酸异丁酯 - Risk and Safety
| Hazard Symbols | N - Dangerous for the environment |
| Risk Codes | R10 - Flammable R50/53 - Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. R52/53 - Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. |
| Safety Description | S16 - Keep away from sources of ignition. S27 - Take off immediately all contaminated clothing. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. S60 - This material and its container must be disposed of as hazardous waste. |
| UN IDs | UN 3272 3/PG 3 |
| WGK Germany | 2 |
| RTECS | ET5020000 |
| HS Code | 29156000 |
| Hazard Class | 3.2 |
| Packing Group | III |
正丁酸异丁酯 - Reference Information
| FEMA | 2187 | ISOBUTYL BUTYRATE |
| olfactory threshold (Odor Threshold) | 0.0016ppm |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| content analysis | determined by method 1 in ester determination method (OT-18). The sample amount taken is 900 mg. The equivalent factor (e) in the calculation is 72.11. Or by gas chromatography (GT-10-4) with non-polar column method. |
| toxicity | GRAS(FEMA). LD50 9520 mg/kg (rabbit, oral). |
| usage limit | FEMA(mg/kg): soft drink 8.3; Cold drink 16; Candy 25; Baked food 24; Pudding 14; Gum candy 2000; Wine 2.0. Moderates are limited (FDA § 172.515,2000). |
| use | GB 276011996 specifies edible spices that are allowed to be used. Mainly used to prepare peach, apricot and berry flavors. |
| production method | is made by esterification of butyric acid and isobutanol in the presence of concentrated sulfuric acid. Under anhydrous conditions, it is obtained by enzymatic synthesis of a mixture of isobutanol and butyric acid from pig pancreas. |
| category | toxic substances |
| toxicity classification | low toxicity |
| acute toxicity | oral-rat LD50: 5000 mg/kg |
| stimulation data | skin-rabbit 500 mg/24 hours mild |
| flammability hazard characteristics | thermal decomposition discharges toxic and pungent smoke |
| storage and transportation characteristics | warehouse low temperature ventilation and drying |
| fire extinguishing agent | water, dry powder, carbon dioxide, foam |
Last Update：2024-04-09 19:05:09
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View History
正丁酸异丁酯
4-CHLORO-6-NITRO-M-PHENYLENENDIAMINE
[4-[(4-chlorophenyl)cyanomethyl]-5-chloro-m-tolyl]ammonium chloride
DL-2-AMINO-5-GUANIDINOPENTANOIC ACID
2-Azaspiro[5.5]undecane-2,9-dicarboxylicacid 2-tert-butyl ester
2-([5-(TRIFLUOROMETHYL)-1,3,4-OXADIAZOL-2-YL]SULFANYL)PROPANOIC ACID
(3,4-DICHLORO-PHENYL)-MORPHOLIN-4-YL-ACETIC ACID HYDROCHLORIDE
2(1H)-Pyrimidinone, 4-amino-1-(2-deoxy-2-fluoro-5-O-(hydroxy((hydroxy( phosphonooxy)phosphinyl)oxy)phosphinyl)-beta-D-arabinofuranosyl)-5-met hyl-
(6-(二甲氨基)吡啶-3-基)硼酸
S-(Trifluoromethyl) 4-methylbenzenesulfonothioate
4-CHLORO-6-NITRO-M-PHENYLENENDIAMINE
[4-[(4-chlorophenyl)cyanomethyl]-5-chloro-m-tolyl]ammonium chloride
DL-2-AMINO-5-GUANIDINOPENTANOIC ACID
2-Azaspiro[5.5]undecane-2,9-dicarboxylicacid 2-tert-butyl ester
2-([5-(TRIFLUOROMETHYL)-1,3,4-OXADIAZOL-2-YL]SULFANYL)PROPANOIC ACID
(3,4-DICHLORO-PHENYL)-MORPHOLIN-4-YL-ACETIC ACID HYDROCHLORIDE
2(1H)-Pyrimidinone, 4-amino-1-(2-deoxy-2-fluoro-5-O-(hydroxy((hydroxy( phosphonooxy)phosphinyl)oxy)phosphinyl)-beta-D-arabinofuranosyl)-5-met hyl-
(6-(二甲氨基)吡啶-3-基)硼酸
S-(Trifluoromethyl) 4-methylbenzenesulfonothioate