Dimethylbenzylcarbinyl acetate CAS 151-05-3
Introduction：Basic information about Dimethylbenzylcarbinyl acetate CAS 151-05-3, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Dimethylbenzylcarbinyl acetate Basic information
| Product Name: | Dimethylbenzylcarbinyl acetate |
| Synonyms: | α,α-Dimethylphenethyl acetate;Dimethylbenzylcarbinyl;Acetic acid 1,1-dimethyl-2-phenylethyl;Acetic acid α,α-dimethylphenethyl ester;alpha,alpha-Dimethylphenethylacetat;DIMETHYLBENZYLCARBINYLACETAT;Benzyldimethylcarbinyl acetat;DIMETHYL PHENYLETHYL ACETATE |
| CAS: | 151-05-3 |
| MF: | C12H16O2 |
| MW: | 192.25 |
| EINECS: | 205-781-3 |
| Product Categories: | Alphabetical Listings;C-D;Flavors and Fragrances |
| Mol File: | 151-05-3.mol |
Dimethylbenzylcarbinyl acetate Chemical Properties
| Melting point | 31.0 to 35.0 °C |
| Boiling point | 250 °C (lit.) |
| density | 0.998 g/mL at 25 °C (lit.) |
| vapor pressure | 1.9-2.9Pa at 20-25℃ |
| refractive index | n |
| FEMA | 2392 | ALPHA,ALPHA-DIMETHYLPHENETHYL ACETATE |
| Fp | 206 °F |
| storage temp. | -20°C |
| Odor | at 100.00 %. sweet floral fruity rose green pear berry jasmin powdery |
| Odor Type | floral |
| biological source | synthetic |
| Water Solubility | 774.88mg/L at 20℃ |
| JECFA Number | 1655 |
| Major Application | cleaning products cosmetics flavors and fragrances food and beverages personal care |
| Cosmetics Ingredients Functions | FRAGRANCE PERFUMING |
| InChI | 1S/C12H16O2/c1-10(13)14-12(2,3)9-11-7-5-4-6-8-11/h4-8H,9H2,1-3H3 |
| InChIKey | FLUWAIIVLCVEKF-UHFFFAOYSA-N |
| SMILES | CC(=O)OC(C)(C)Cc1ccccc1 |
| LogP | 3.64 at 25℃ |
| CAS DataBase Reference | 151-05-3(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzeneethanol, «alpha»,«alpha»-dimethyl-, acetate(151-05-3) |
| EPA Substance Registry System | Dimethylbenzylcarbinyl acetate (151-05-3) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/38 |
| Safety Statements | 26-36 |
| WGK Germany | 2 |
| RTECS | SG8100000 |
| TSCA | TSCA listed |
| HS Code | 29153900 |
| Storage Class | 10 - Combustible liquids |
| Hazard Classifications | Aquatic Chronic 3 Skin Irrit. 2 |
| Toxicity | LD50 orl-rat: 3300 mg/kg FCTXAV 12,533,74 |
| Chemical Properties | Dimethylbenzylcarbinyl acetate is a colorless liquid with a floral, woody odor. The ester is used in blossomcompositions, for example, lily of the valley, rose, and geranium. |
| Chemical Properties | α,α-Dimethylphenethyl acetate has a powerful floral, fruity odor |
| Occurrence | Has apparently not been reported to occur in nature. |
| Uses | Refer to the productμs Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support. |
| Definition | ChEBI: 2-Methyl-1-phenyl-2-propanyl acetate is an alkylbenzene. |
| Preparation | By acetylation of dimethylbenzyl carbinol. |
| Flammability and Explosibility | Not classified |
| Safety Profile | Moderately toxic by ingestion. Askin irritant. When heated to decomposition it emits acridsmoke and irritating fumes. |
Dimethylbenzylcarbinyl acetate Preparation Products And Raw materials
| Raw materials | 2-Methyl-1-phenyl-2-propanol-->(Diacetoxyiodo)benzene-->Acetic anhydride-->Acetyl chloride-->Acetone-->2,2-DIMETHYL-3-PHENYLPROPANOIC ACID-->Benzylmagnesium chloride |
| Preparation Products | 2-METHYL-3-PHENYL-1-PROPENE |
