PHENYLACETIC ACID ISOBUTYL ESTER
Isobutyl phenylacetate
CAS: 102-13-6
Molecular Formula: C12H16O2
PHENYLACETIC ACID ISOBUTYL ESTER - Names and Identifiers
PHENYLACETIC ACID ISOBUTYL ESTER - Physico-chemical Properties
| Molecular Formula | C12H16O2 |
| Molar Mass | 192.25 |
| Density | 0.986g/mLat 25°C(lit.) |
| Boling Point | 253°C(lit.) |
| Flash Point | >230°F |
| JECFA Number | 1013 |
| Vapor Presure | 2-3.4Pa at 20-25℃ |
| Appearance | Liquid |
| Specific Gravity | 0.985～0.991 (20/4℃) |
| Color | Colorless to Light yellow |
| Refractive Index | n20/D 1.487(lit.) |
| Physical and Chemical Properties | Colorless liquid. Boiling point 253 ℃, relative density 0.984-0.988, refractive index 1.486-1.488, flash point 116 ℃, soluble in 8 volume 70% ethanol or 2 volume 80% ethanol and oily perfume. Acid value <1.0, the aroma is sweet and cloudy, some of the cream fragrance, incense, Musk, fruit flavor. The aroma is strong, flowing and lasting. |
PHENYLACETIC ACID ISOBUTYL ESTER - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - 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. |
| WGK Germany | 2 |
| RTECS | CY1681950 |
| TSCA | Yes |
| HS Code | 29163990 |
| Toxicity | Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg. |
PHENYLACETIC ACID ISOBUTYL ESTER - Reference Information
| FEMA | 2210 | ISOBUTYL PHENYLACETATE |
| LogP | 3.5 at 35℃ and pH7 |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| trait | colorless transparent liquid. It has an aroma similar to that of Rose and Musk and a sweet taste of honey. The boiling point is 253 ° C, and the flash point is 116 ° C. Soluble in ethanol (1ml in 2ml of 80% ethanol) and most non-volatile oils, insoluble in propylene glycol, paraffin oil, glycerin and water. |
| Use | isobutyl phenylacetate is mainly used to prepare such flavors as Rose, honey, nuts, caramel, chocolate and spices. it can be reused in the fragrance of its fresh sweet flower receptacle, such as rose, carnation, tuberose, Iris, narcissus, peony, Hyacinth, sweet bean flower and so on. Also suitable for use in sandalwood and other heavy flavor. Can also be used in cream, caramel, chocolate, honey, nuts and other food flavors. GB 2760-1996 permitted flavors. Mainly used in the preparation of rose, honey, fennel, nuts, caramel, cocoa, chocolate and spices flavor. ester synthetic fragrance. |
| identification test | GRAS(FEMA). |
| toxicity | FEMA(mg/kg): soft drinks 2.8; Cold drinks 2.8; Candy 5.0; Baked goods 5.0; pudding 5.0; Malas |
| usage limit | FEMA(mg/kg): soft drinks 2.8; Cold drinks 2.8; Candy 5.0; Baked goods 5.0; pudding 5.0; Malas |
| production method | is obtained by heat-esterifying phenylacetic acid and isobutanol in the presence of concentrated sulfuric acid or dry hydrogen chloride gas. |
| production method | is obtained by heat-esterifying phenylacetic acid and isobutanol in the presence of concentrated sulfuric acid or dry hydrogen chloride gas. |
Last Update：2024-04-09 20:49:11
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CAS: 102-13-6
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View History
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LABOTEST-BB LT00454413
碘化异丙基三苯鏻
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2-氟吡啶-4-羧酸