Isobutyl benzoate, (Benzoic acid isobutyl ester)
Isobutyl benzoate
CAS: 120-50-3
Molecular Formula: C11H14O2
Isobutyl benzoate, (Benzoic acid isobutyl ester) - Names and Identifiers
| Name | Isobutyl benzoate |
| Synonyms | FEMA 2185 Isobutylbenzoat ISOBUTYL BENZOATE Isobutyl benzoate 2-METHYLPROPYL BENZOATE Benzoic acid isobutyl ester BENZOIC ACID ISOBUTYL ESTER benzoicacid2-methylpropylester Benzoicacid,2-methylpropylester Isobutyl benzoate, (Benzoic acid isobutyl ester) |
| CAS | 120-50-3 |
| EINECS | 204-401-3 |
| InChI | InChI=1/C11H14O2/c1-9(2)8-13-11(12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3 |
Isobutyl benzoate, (Benzoic acid isobutyl ester) - Physico-chemical Properties
| Molecular Formula | C11H14O2 |
| Molar Mass | 178.23 |
| Density | 0.996g/mLat 25°C(lit.) |
| Boling Point | 241-242°C(lit.) |
| Flash Point | 205°F |
| JECFA Number | 856 |
| Appearance | Liquid |
| Color | Clear colorless |
| BRN | 2045961 |
| Storage Condition | Room Temprature |
| Refractive Index | n20/D 1.495(lit.) |
| Physical and Chemical Properties | Colorless oily liquid. Boiling point of 242 ℃, relative density of 0.994-0.997, refractive index of 1.493-1.496, flash point of 96 ℃, dissolved in 2 volumes of 80% ethanol and oil, acid value is less than or equal to 1.0. There is a sweet and astringent amber fragrance, with a slight rose, Iris and leaf-green breath. Although the momentum is weak, it is fresh and pleasant, and the fragrance is quite lasting. |
Isobutyl benzoate, (Benzoic acid isobutyl ester) - Risk and Safety
| Safety Description | 24/25 - Avoid contact with skin and eyes. |
| WGK Germany | 2 |
| RTECS | DH4185000 |
| TSCA | Yes |
| HS Code | 29163100 |
| Toxicity | The acute oral LD50 value in rats was eported as 3.7 mg/kg (3.19-4.29 mg/kg) (Levenstein,1973). The acute dermal LD 50 value in rabbits was reported as > 5 ml/kg (Levenstein, 1973). |
Isobutyl benzoate, (Benzoic acid isobutyl ester) - Reference Information
| FEMA | 2185 | ISOBUTYL BENZOATE |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| toxicity | GRAS(FEMA). |
| usage limit | FEMA(mg/kg): beverage 2.0~9.0; Cold drink 7.9; Candy 12; Baked products 10~23. The right amount is limited (FDA,§ 172.515,2001). |
| use | can be used in rose, carnation, hyacinth, orange blossom, sweet bean, iris, violet, orchid, gardenia, tuberose, Robinia pseudoacacia, clover, ambergris-ambergris and non-floral fragrance and other fragrance types. The sharing effect with rock rose products is very good. Suitable for soap and fragrance essence. It can also be used in edible flavors such as berries, fresh fruits, cherries, pineapples, and plums. |
Last Update：2024-04-09 15:16:47
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View History
Isobutyl benzoate, (Benzoic acid isobutyl ester)
Miconazole Impurity 7(Miconazole EP Impurity G)
(2,5-dioxopyrrolidin-1-yl) 2-azidoacetate
氯化偏苯三酸酐
3 5-DICHLORO-4-IODOPYRIDIN
2-(CHLOROMETHYL)-5-FLUOROPYRIDINE
Miconazole Impurity 7(Miconazole EP Impurity G)
(2,5-dioxopyrrolidin-1-yl) 2-azidoacetate
氯化偏苯三酸酐
3 5-DICHLORO-4-IODOPYRIDIN
2-(CHLOROMETHYL)-5-FLUOROPYRIDINE