1-butylbenzoate
n-Butyl Benzoate
CAS: 136-60-7
Molecular Formula: C11H14O2
1-butylbenzoate - Names and Identifiers
| Name | n-Butyl Benzoate |
| Synonyms | Anthrapole az Butyl Benzoate 1-butylbenzoate 2-butylbenzoate IP Carrier N-20 n-Butyl Benzoate 1-butoxy-3-(tert-butyl)benzene BUTYL BENZOATE FOR SYNTHESIS 500 ML BUTYL BENZOATE FOR SYNTHESIS 100 ML |
| CAS | 136-60-7 |
| EINECS | 205-252-7 |
| InChI | InChI=1/C11H14O2/c1-2-3-6-9-7-4-5-8-10(9)11(12)13/h4-5,7-8H,2-3,6H2,1H3,(H,12,13)/p-1 |
1-butylbenzoate - Physico-chemical Properties
| Molecular Formula | C11H14O2 |
| Molar Mass | 178.23 |
| Density | 1.01 g/mL at 25 °C (lit.) |
| Melting Point | -22 °C |
| Boling Point | 249 °C (lit.) |
| Flash Point | 223°F |
| Water Solubility | 34.1mg/L at 20℃ |
| Solubility | 0.06g/l |
| Vapor Presure | 8.5Pa at 20℃ |
| Appearance | Oily Liquid |
| Color | Clear yellow |
| Merck | 14,1552 |
| BRN | 1867073 |
| Storage Condition | room temp |
| Refractive Index | n20/D 1.498(lit.) |
| Physical and Chemical Properties | Colorless thick liquid. Boiling point 247-250 ℃, relative density 1.008-1.011, refractive index 1.4975, soluble in 95% ethanol and oil, sweet and soft with astringent flower fragrance, cream fragrance, very light flavor of ambergris, aucklandia, bitter flavor. The aroma was weak and long. |
| Use | Is an intermediate in organic synthesis |
1-butylbenzoate - Risk and Safety
| Risk Codes | R22 - Harmful if swallowed R36/37/38 - 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 | DG4925000 |
| TSCA | Yes |
| HS Code | 29163100 |
| Toxicity | LD50 orally in rats: 5.14 g/kg (Smyth) |
1-butylbenzoate - Reference Information
| LogP | 3.3 |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Application | butyl benzoate is an ester organic substance, which can be used as solvent, plasticizer and perfume of cellulose ester. |
| Use | is a good combination, modification, dilution and fixative. Suitable for ambergris-amber fragrance, orange flower, sweet bean flower, grass blue, white blue, rose Musk, vanilla, wild rose essence. Co-use with ylang ylang for heavy-duty floral aromas, such as Carnation, is more convenient. cellulose ester solvent, plasticizer and perfume raw materials. The product can stimulate the skin, mucous membranes, low toxicity, rats oral LD50 is 5100mg/kg. is a solvent for organic synthesis intermediates cellulose esters. Plasticizers. Spices. |
| production method | is obtained by esterification of benzoic acid with butanol. Benzoic acid, butanol, sulfuric acid and carbon tetrachloride were heated and refluxed together for 8H. After removing a certain amount of water, excess butanol was removed under reduced pressure, and then washed to neutrality. |
| category | flammable liquid |
| toxicity grade | poisoning |
| Acute toxicity | oral-rat LD50: 735 mg/kg; Oral-mouse LD50: 3450 mg/kg |
| stimulation data | Skin-rabbits 10 mg/24 h severe; eye-rabbit 500 mg moderate |
| flammability hazard characteristics | when exposed to heat, flame flammable; Thermal decomposition discharge of toxic and spicy stimulus smoke |
| storage and transportation characteristics | The warehouse is ventilated and dried at low temperature; Stored separately from oxidants |
| fire extinguishing agent | water mist, dry powder, carbon dioxide |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 02:00:04
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