Molecular Structure of BENZYL DIMETHYLCARBINYL n-BUTYRATE (10094-34-5):

EINECS: 233-221-8
IUPAC Name: (2-methyl-1-phenylpropan-2-yl) butanoate
MW: Molecular Formula: C₁₄H₂₀O₂
Molecular Weight: 220.307400 g/mol
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-UHFFFAOYAH
SMILES: CCCC(=O)OC(C)(C)CC1=CC=CC=C1
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 6
Index of Refraction: 1.493
Molar Refractivity: 65.33 cm³
Molar Volume: 224.8 cm³
Surface Tension: 33.8 dyne/cm
Density: 0.979 g/cm³
Flash Point: 106.1 °C
Boiling Point: 293.8 °C at 760 mmHg
Enthalpy of Vaporization: 53.34 kJ/mol
Vapour Pressure: 0.00168 mmHg at 25 °C
Water Solubility:5.701 mg/L at 25 °C
Refractive Index: n20/D 1.4839(lit.)

Reported in EPA TSCA Inventory.

The safety information of BENZYL DIMETHYLCARBINYL n-BUTYRATE (10094-34-5):
Hazard Codes: Xi
Risk Statements: 38-43-51/53
38: Irritating to the skin
43: May cause sensitization by skin contact
51/53: Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment
Safety Statements: 36/37-61
36/37: Wear suitable protective clothing and gloves
61: Avoid release to the environment. Refer to special instructions safety data sheet
RIDADR: UN3082 9/PG 3
WGK: Germany 2
RTECS: ET0130000
Low oral toxicity. A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.

BENZYL DIMETHYLCARBINYL n-BUTYRATE (10094-34-5) is also named 1,1-Dimethyl-2-phenylethyl butyrate ; 2-Benzyl-2-propylbutyrate ; a,a-dimethylphenethyl ; a,a-dimethylphenethylbutyrate ; alpha,alpha-Dimethylphenethyl alcohol, butyrate ; Benzyl dimethylcarbinyl n-butyrate ; benzyldimethylcarbinyln-butyrate ; Butanoic acid, 1,1-dimethyl-2-phenylethyl ester ,etc. BENZYL DIMETHYLCARBINYL n-BUTYRATE (10094-34-5) is used in flavors and fragrances.