Benzyldimethylcarbinyl butyrate
- CAS NO.：10094-34-5
- Empirical Formula: C14H20O2
- Molecular Weight: 220.31
- MDL number: MFCD00027132
- EINECS: 233-221-8
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-11-12 16:52:33
What is Benzyldimethylcarbinyl butyrate?
Chemical properties
α,α-Dimethylphenylethyl Butyrate is a colorless liquid with a slightly herbal, strongly fruity odor,reminiscent of prune and apricot. It is used in perfumery as a modifier of the alcohol and for oriental notes.
Chemical properties
α,α-Dimethylphenethyl butyrate has a mild, herbaceous, fruity (plum–prune) odor and an apricot-, peach-, plum-like taste
The Uses of Benzyldimethylcarbinyl butyrate
Benzyldimethylcarbinyl butyrate is used in perfume compositions of the Oriental-Rose, Chypre, Peony and other types, often as a modifier for other D. M.B.C. esters.
Definition
ChEBI: 2-Methyl-1-phenyl-2-propanyl butyrate is an alkylbenzene.
Safety Profile
Low oral toxicity. A skin irritant.When heated to decomposition it emits acrid smoke andirritating fumes.
Synthesis
Benzyldimethylcarbinyl butyrate is prepared by direct esterification of Dimethyl benzylcarbinol with n-Butyric acid, using a catalyst and preferably azeotropic conditions.
Properties of Benzyldimethylcarbinyl butyrate
| Boiling point: | 237-255 °C(lit.) |
| Density | 0.969 g/mL at 25 °C(lit.) |
| vapor pressure | 0.164Pa at 20℃ |
| FEMA | 2394 | ALPHA,ALPHA-DIMETHYLPHENETHYL BUTYRATE |
| refractive index | n |
| Flash point: | >230 °F |
| color | Colorless liquid |
| Specific Gravity | 0.96 |
| Odor | plum aroma |
| Water Solubility | 16.11mg/L at 20℃ |
| JECFA Number | 1656 |
| CAS DataBase Reference | 10094-34-5(CAS DataBase Reference) |
| NIST Chemistry Reference | Butanoic acid, 1,1-dimethyl-2-phenylethyl ester(10094-34-5) |
| EPA Substance Registry System | Butanoic acid, 1,1-dimethyl-2-phenylethyl ester (10094-34-5) |
Safety information for Benzyldimethylcarbinyl butyrate
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H412:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P273:Avoid release to the environment. P302+P352:IF ON SKIN: wash with plenty of soap and water. |
Computed Descriptors for Benzyldimethylcarbinyl butyrate
| InChIKey | SHSGYHAHMQLYRB-UHFFFAOYSA-N |
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