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Name |
Hydrocinnamyl isobutyrate |
EINECS | 203-125-0 |
CAS No. | 103-58-2 | Density | 0.979 g/mL at 25 °C(lit.) |
PSA | 26.30000 | LogP | 2.81840 |
Solubility | insoluble in water; soluble in oils | Melting Point |
-60 °C |
Formula | C13H18 O2 | Boiling Point | 291.6 °C at 760 mmHg |
Molecular Weight | 206.285 | Flash Point | 114.5 °C |
Transport Information | N/A | Appearance | Colourless liquid, fruity-balsamic sweet odour |
Safety | 24/25 | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Isobutyric acid,3-phenylpropyl ester (7CI,8CI); 1-Propanol, 3-phenyl-, isobutyrate (8CI);3-Phenylpropyl isobutyrate; Hydrocinnamyl isobutyrate; NSC 404455; NSC 6039 |
Article Data | 9 |
IUPAC Name: 3-phenylpropyl 2-methylpropanoate
Synonyms of Hydrocinnamyl isobutyrate (CAS NO.103-58-2): 3-Phenylpropyl 2-methylpropanoate ; 3-Phenylpropyl isobutyrate ; 3-Phenylpropyl isobutyrate (natural) ; 4-06-00-03201 (Beilstein Handbook Reference) ; BRN 2454387 ; EINECS 203-125-0 ; FEMA No. 2893 ; Hydrocinnamyl 2-methylpropanoate ; Isobutyric acid, 3-phenylpropyl ester ; NSC 404455 ; Phenylpropyl 2-methylpropanoate, beta- ; Phenylpropyl isobutyrate ; Propanoic acid, 2-methyl-, 3-phenylpropyl ester
CAS NO: 103-58-2
Molecular Formula of Hydrocinnamyl isobutyrate (CAS NO.103-58-2): C13H18O2
Molecular Weight: 206.2808
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 6
Polar Surface Area: 26.3 Å2
Index of Refraction: 1.493
Molar Refractivity: 60.69 cm3
Molar Volume: 208.6 cm3
Surface Tension: 34.2 dyne/cm
Density: 0.988 g/cm3
Flash Point: 114.5 °C
Enthalpy of Vaporization: 53.1 kJ/mol
Boiling Point: 291.6 °C at 760 mmHg
Vapour Pressure: 0.00193 mmHg at 25°C
Molecular Structure:
Hydrocinnamyl isobutyrate (CAS NO.103-58-2) is used as a food additives.
1. | skn-rbt 500 mg/24H | FCTXAV Food and Cosmetics Toxicology. 16 (1978),851. |
Reported in EPA TSCA Inventory.
Safety Statements of Hydrocinnamyl isobutyrate (CAS NO.103-58-2): 24/25
S24/25: Avoid contact with skin and eyes.
WGK Germany: 2
RTECS: NQ5440000
A skin irritant. When heated to decomposition it emits acrid smoke and fumes. See also ESTERS.