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| CAS No.: | 151-05-3 |
|---|---|
| Name: | Dimethylbenzylcarbinyl acetate |
| Molecular Structure: | |
|
|
|
| Formula: | C12H16O2 |
| Molecular Weight: | 192.258 |
| Synonyms: | Benzeneethanol,a,a-dimethyl-, acetate (9CI);Phenethyl alcohol, a,a-dimethyl-, acetate (6CI,8CI);1,1-Dimethyl-2-phenylethylacetate;2-Methyl-1-phenyl-2-propyl acetate;2-Methyl-1-phenylpropan-2-ylacetate;Benzyldimethylcarbinol acetate;DMBCA;NSC 46123;a,a-Dimethylphenethyl acetate; |
| EINECS: | 205-781-3 |
| Density: | 1.002 g/cm3 |
| Melting Point: | 31.0 to 35.0 °C |
| Boiling Point: | 258.2 °C at 760 mmHg |
| Flash Point: | 101.8 °C |
| Solubility: | 774.88mg/L at 20℃ |
| Appearance: | Colorless and transparent |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/38 |
| Safety: | 26-36 |
| PSA: | 26.30000 |
| LogP: | 2.57080 |
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Chemistry
Product Name: Dimethylbenzylcarbinyl acetate (CAS NO.151-05-3)
Molecular Formula: C12H16O2
Molecular Weight: 192.26g/mol
Mol File: 151-05-3.mol
EINECS: 205-781-3
Boiling point: 258.2 °C at 760 mmHg
Flash Point: 101.8 °C
Density: 1.002 g/cm3
Refractive index: n20/D 1.4925(lit.)
Index of Refraction: 1.496
Molar Refractivity: 56.07 cm3
Molar Volume: 191.8 cm3
Surface Tension: 33.9 dyne/cm
Enthalpy of Vaporization: 49.58 kJ/mol
Vapour Pressure: 0.0139 mmHg at 25°C
XLogP3-AA: 2.7
H-Bond Donor: 0
H-Bond Acceptor: 2
Structure Descriptors of Dimethylbenzylcarbinyl acetate (CAS NO.151-05-3):
IUPAC Name: (2-methyl-1-phenylpropan-2-yl) acetate
Canonical SMILES: CC(=O)OC(C)(C)CC1=CC=CC=C1
InChI: 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
Product Categories: Alphabetical Listings; C-D; Flavors and Fragrances
Toxicity Data With Reference
| 1. | skn-rbt 500 mg/24H MOD | FCTXAV Food and Cosmetics Toxicology. 12 (1974),533. | ||
| 2. | orl-rat LD50:3300 mg/kg | FCTXAV Food and Cosmetics Toxicology. 12 (1974),533. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Safety Information of Dimethylbenzylcarbinyl acetate (CAS NO.151-05-3):
Hazard Codes Xi
Risk Statements 36/38
R36/38:Irritating to eyes and skin.
Safety Statements 26-36
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 SG8100000
Specification
Dimethylbenzylcarbinyl acetate , its CAS NO. is 151-05-3, the synonyms are 1,1-Dimethyl-2-phenylethyl acetate; 2-Benzyl-2-propyl acetate ; alpha,alpha-Dimethylphenethyl acetate ; Benzyldimethylcarbinyl acetat .