-
Name
3-PHENYLPROPYL ISOBUTYRATE
- EINECS 203-125-0
- CAS No. 103-58-2
- Article Data9
- CAS DataBase
- Density 0.979 g/mL at 25 °C(lit.)
- 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
- Appearance Colourless liquid, fruity-balsamic sweet odour
- Safety 24/25
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Isobutyric acid,3-phenylpropyl ester (7CI,8CI); 1-Propanol, 3-phenyl-, isobutyrate (8CI);3-Phenylpropyl isobutyrate; Hydrocinnamyl isobutyrate; NSC 404455; NSC 6039
- PSA 26.30000
- LogP 2.81840
Hydrocinnamyl isobutyrate Chemical Properties
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: .png)
Hydrocinnamyl isobutyrate Uses
Hydrocinnamyl isobutyrate (CAS NO.103-58-2) is used as a food additives.
Hydrocinnamyl isobutyrate Toxicity Data With Reference
| 1. | skn-rbt 500 mg/24H | FCTXAV Food and Cosmetics Toxicology. 16 (1978),851. |
Hydrocinnamyl isobutyrate Consensus Reports
Reported in EPA TSCA Inventory.
Hydrocinnamyl isobutyrate Safety Profile
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.
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