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| CAS No.: | 122-74-7 |
|---|---|
| Name: | 3-PHENYL PROPYL PROPIONATE |
| Article Data: | 5 |
| Molecular Structure: | |
|
|
|
| Formula: | C12H16 O2 |
| Molecular Weight: | 192.258 |
| Synonyms: | 1-Propanol,3-phenyl-, propionate (8CI); Benzenepropanol, propanoate (9CI); 3-Phenylpropylpropionate; NSC 6032 |
| EINECS: | 204-571-9 |
| Density: | 1.0 g/mL at 25 °C(lit.) |
| Boiling Point: | 280.3 °C at 760 mmHg |
| Flash Point: | 116.9 °C |
| Appearance: | COLORLESS TO LIGHT YELLOW LIQUID |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | Low toxicity by ingestion and skin contact. A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes. |
| PSA: | 26.30000 |
| LogP: | 2.57240 |
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Chemistry
IUPAC: 3-Phenylpropyl propanoate
Hydrocinnamyl propionate (CAS NO.122-74-7) is also called for 1-Propanol, 3-phenyl-, propionate ; 3-Phenyl-1-propanol propionate ; 3-Phenylpropyl propionate ; 4-06-00-03201 (Beilstein Handbook Reference) ; AI3-18535 ; BRN 3272005 ; Benzenepropanol, propanoate ; EINECS 204-571-9 ; FEMA No. 2897 ; NSC 6032 ; Phenylpropyl propionate and so on.
CAS: 122-74-7
Molecular Formula: C12H16O2
Molecular Weight: 192.25
EINECS: 204-571-9
ACD/LogP: 3.40
ACD/LogD (pH 5.5): 3.4
ACD/LogD (pH 7.4): 3.4
ACD/BCF (pH 5.5): 227.36
ACD/BCF (pH 7.4): 227.36
ACD/KOC (pH 5.5): 1692.57
ACD/KOC (pH 7.4): 1692.57
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 6
Heavy Atom Count: 14
Formal Charge: 0
Complexity: 160
Isotope Atom Count: 0
Defined Atom StereoCenter Count: 0
Undefined Atom StereoCenter Count: 0
Defined Bond StereoCenter Count: 0
Undefined Bond StereoCenter Count: 0
Covalently-Bonded Unit Count: 1
Index of Refraction: 1.496
Molar Refractivity: 56.1 cm3
Molar Volume: 191.7 cm3
Surface Tension: 35.3 dyne/cm
Density: 1.002 g/cm3
Flash Point: 116.9°C
Enthalpy of Vaporization: 51.91 kJ/mol
Boiling Point: 280.3°C at 760 mmHg
Vapour Pressure: 0.00381 mmHg at 25°C
The molecular structure of Hydrocinnamyl propionate with CAS NO.of 122-74-7:
Toxicity Data With Reference
| 1. | skn-rbt 500 mg/24H MOD | FCTOD7 Food and Chemical Toxicology. 20 (1982),809. | ||
| 2. | orl-rat LD50:>5 g/kg | FCTOD7 Food and Chemical Toxicology. 20 (1982),809. | ||
| 3. | skn-rbt LD50:>5 g/kg | FCTOD7 Food and Chemical Toxicology. 20 (1982),809. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Low toxicity by ingestion and skin contact. A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
Hazard Codes: Xi 
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system 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.
RTECS: UB9338400
Specification
Removal in wastewater treatment of Hydrocinnamyl propionate (CAS NO.122-74-7):
Total removal:14.52 percent
Total biodegradation:0.19 percent
Total sludge adsorption:14.00 percent
Total to air:0.32 percent
(using 10000 hr Bio P,A,S)