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120-45-6

Basic Information
CAS No.: 120-45-6
Name: 1-Phenylethyl propionate
Article Data: 44
Molecular Structure:
Molecular Structure of 120-45-6 (1-Phenylethyl propionate)
Formula: C11H14 O2
Molecular Weight: 178.231
Synonyms: Benzenemethanol,a-methyl-, propanoate (9CI);Benzyl alcohol, a-methyl-,propionate (7CI,8CI); (?à)-1-Phenylethyl propionate; 1-Phenylethanol propionic acid ester;1-Phenylethyl propionate; Methylphenylcarbinyl propionate; NSC 406571;Styrallyl propionate; a-Methylbenzyl propionate
EINECS: 204-397-3
Density: 1.007
Melting Point: -60°C
Boiling Point: 229.5 °C at 760 mmHg
Flash Point: 106 ºC
Solubility: 0.04 g/L (20 ºC) in water
Appearance: clear, colorless liquid.
Risk Codes: 36/37/38
Safety: 24/25
PSA: 26.30000
LogP: 2.70080
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Chemistry

IUPAC Name: 1-Phenylethyl propanoate
Synonyms: Alpha-methylbenzyl propionate98+% ; 1-Phenylethyl ; Alpha-methyl-benzenemethanopropanoate ; Alpha-methyl-benzylalcohopropionate ; Alpha-methylbenzylpropanoate ; Benzenemethanol,alpha.-methyl-,propanoate ; Phenylmethylcarbinylpropionate ; Propionicacid,alpha-methylbenzylester
Molecular Structure:
Molecular Formula: C11H14O2
Molecular Weight : 178.23
CAS NO: 120-45-6
EINECS: 204-397-3
FEMA : 2689
Mol File: 120-45-6.mol
Index of Refraction: 1.496
Surface Tension: 34.5 dyne/cm
Density: 1.012 g/cm3
Flash Point: 94.4 °C
Enthalpy of Vaporization: 46.61 kJ/mol
Boiling Point: 229.5 °C at 760 mmHg
Vapour Pressure: 0.0693 mmHg at 25°C
Melting point: -60°C
Water Solubility 0.04 g/L (20 ºC)
Appearance: Phenylmethylcarbinyl propionate (CAS NO.120-45-6) is colorless to slightly yellow liquid.
Solubility: Phenylmethylcarbinyl propionate (CAS NO.120-45-6) is soluble in ethanol 4 volume of 70% and oil

Uses

 Phenylmethylcarbinyl propionate (CAS NO.120-45-6)  is the most useful derivatives in ethanol , it is the floral flavor of the modification agent and enhancer. Phenylmethylcarbinyl propionate (CAS NO.120-45-6) can also be used for tobacco flavoring, perfume flavoring and food flavoring essence.

Toxicity Data With Reference

1.    

skn-rbt 500 mg/24H MLD

    FCTXAV    Food and Cosmetics Toxicology. 14 (1976),613.
2.    

orl-rat LD50:5200 mg/kg

    FCTXAV    Food and Cosmetics Toxicology. 14 (1976),613.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Mildly toxic by ingestion. A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
Risk Statements 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements 24/25
S24/25:Avoid contact with skin and eyes.
WGK Germany 1
RTECS DP0620000