Butyric acid 1,1-dimethyl-2-phenylethyl ester
Benzyldimethylcarbinyl butyrate
CAS: 10094-34-5
Molecular Formula: C14H20O2
Butyric acid 1,1-dimethyl-2-phenylethyl ester - Names and Identifiers
| Name | Benzyldimethylcarbinyl butyrate |
| Synonyms | DMBCB
DMBCB a,a-dimethylphenethyl 2-Benzyl-2-propylbutyrate a,a-dimethylphenethylbutyrate Dimethylbenzylcarbinyl butyrate Benzyldimethylcarbinyl butyrate Dimethyl benzyl carbinyl butyrate Benzyl dimethylcarbinyl n-butyrate 1,1-Dimethyl-2-phenylethyl butyrate alpha,alpha-Dimethylphenethyl butyrate 2-methyl-1-phenylpropan-2-yl butanoate Butyric acid 1,1-dimethyl-2-phenylethyl ester Dimethyl benzyl carbinyl butyrate(D.M.B.C.B.) alpha,alpha-Dimethylphenethyl alcohol, butyrate |
| CAS | 10094-34-5 |
| EINECS | 233-221-8 |
| InChI | InChI=1/C14H20O2/c1-4-8-13(15)16-14(2,3)11-12-9-6-5-7-10-12/h5-7,9-10H,4,8,11H2,1-3H3 |
| InChIKey | SHSGYHAHMQLYRB-UHFFFAOYSA-N |
Butyric acid 1,1-dimethyl-2-phenylethyl ester - Physico-chemical Properties
| Molecular Formula | C14H20O2 |
| Molar Mass | 220.31 |
| Density | 0.969g/mLat 25°C(lit.) |
| Boling Point | 237-255°C(lit.) |
| Flash Point | >230°F |
| JECFA Number | 1656 |
| Water Solubility | 16.11mg/L at 20℃ |
| Vapor Presure | 0.164Pa at 20℃ |
| Specific Gravity | 0.96 |
| Color | Colorless liquid |
| Odor | plum aroma |
| Refractive Index | n20/D 1.4839(lit.) |
| Physical and Chemical Properties | density 0.969 boiling point 237-255°C refractive index 1.4839 |
| Use | Mainly used for the preparation of plum, apricot and dried fruit flavor |
Butyric acid 1,1-dimethyl-2-phenylethyl ester - Risk and Safety
| Risk Codes | R38 - Irritating to the skin R43 - May cause sensitization by skin contact R51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. |
| Safety Description | S36/37 - Wear suitable protective clothing and gloves. S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. |
| UN IDs | UN3082 9/PG 3 |
| WGK Germany | 2 |
| RTECS | ET0130000 |
| Toxicity | LD50 orl-rat: >5 g/kg FCTXAV 18,667,80 |
Butyric acid 1,1-dimethyl-2-phenylethyl ester - Reference Information
| FEMA | 2394 | ALPHA,ALPHA-DIMETHYLPHENETHYL BUTYRATE |
| LogP | 4.7 at 25℃ |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| content analysis | method one is determined by the non-polar column method in gas chromatography (GT-10-4). Method 2 the determination was carried out according to Method 1 in the ester determination method (OT-18). The amount of the sample was 1.7g. The equivalence factor (e) in the calculation is taken as 110.15. |
| toxicity | GRAS(FEMA). Safe for use in food (FDA § 172.515,2000). |
| usage limit | FEMA(mg/kg): Soft drink 10; Cold drink 20; Candy 20; Pudding 20. Moderate limits (FDA § 172.515,2000). |
| Use | GB 2760-96 specifies temporary permitted use of food spices. Mainly used for the preparation of plum, apricot and dried fruit flavor. mainly used for the preparation of plum, apricot and dried fruit flavor |
| production method | is obtained by direct esterification of dimethyl benzyl methanol and butyric acid. |
| category | toxic substances |
| toxicity grade | low toxicity |
| Acute toxicity | oral-rat LD50: > 5000 mg/kg; Skin-rabbit LD50; >5000 mg/kg |
| stimulation data | Skin-rabbit 500 mg/24 h moderate |
| flammability hazard characteristics | flammable; Combustion-induced irritating smoke |
| storage and transportation characteristics | ventilation and low temperature drying |
| fire extinguishing agent | dry powder, foam, sand, carbon dioxide, water mist |
Last Update：2024-04-10 22:29:15
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