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| CAS No.: | 17369-59-4 |
|---|---|
| Name: | FEMA 2952 |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C11H10 O2 |
| Molecular Weight: | 174.199 |
| Synonyms: | Phthalide,3-propylidene- (6CI,8CI); 3-Propylidenephthalide; Celeriax;Propylidenephthalide |
| EINECS: | 241-402-8 |
| Density: | 1.122 g/mL at 25 °C(lit.) |
| Melting Point: | 5 °C(lit.) |
| Boiling Point: | 170 °C12 mm Hg(lit.) |
| Flash Point: | >230 °F |
| Solubility: | SLIGHTLY SOLUBLE IN WATER |
| Appearance: | clear mobile liquid |
| Hazard Symbols: | Xn |
| Risk Codes: | 22-43 |
| Safety: | Moderately toxic by ingestion. A skin irritant. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes. |
| PSA: | 26.30000 |
| LogP: | 2.60790 |
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Chemistry
IUPAC Name: (3E)-3-Propylidene-2-benzofuran-1-one
Synonyms: Propylidene phthalide ; N-Propylidenephthalide ; 3-Propylidene-1(3H)-isobenzofuranon ; Phthalide,3-propylidene ; Fema 2952 ; Celeriax ; 3-N-propylidenephthalide ; 3-Propylidene-1(3h)-isobenzofuranone
Product Categories: Alphabetical Listings;Flavors and Fragrances;O-P
CAS NO: 17369-59-4
Molecular Formula: C11H10O2
Molecular Weight:174.2
Molecular Structure: 
EINECS: 241-402-8
Mol File: 17369-59-4.mol
Index of Refraction: 1.651
Surface Tension: 55.8 dyne/cm
Density: 1.246 g/cm3
Flash Point: 121.2 °C
Melting point: 5 °C(lit.)
Enthalpy of Vaporization: 53.79 kJ/mol
Boiling Point: 298 °C at 760 mmHg
Vapour Pressure: 0.0013 mmHg at 25°C
FEMA : 2952
BRN : 4486
Stability: Stable. Combustible. Incompatible with strong oxidizing agents
Appearance: Propylidene phthalide (CAS NO.17369-59-4) is clear yellow liquid.
Toxicity Data With Reference
| 1. | skn-rbt 500 mg/24H MOD | FCTXAV Food and Cosmetics Toxicology. 16 (1978),865. | ||
| 2. | mmo-sat 100 µg/plate | EMMUEG Environmental and Molecular Mutagenesis. 11 (Suppl 12)(1988),1. | ||
| 3. | orl-rat LD50:1650 mg/kg | FCTXAV Food and Cosmetics Toxicology. 16 (1978),865. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Moderately toxic by ingestion. A skin irritant. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.
Safety Statements 23-24/25
S23:Do not breathe vapour.
S24/25:Avoid contact with skin and eyes.
WGK Germany 3
RTECS NP7235000
Specification
1.Air & Water Reactions :May be sensitive to prolonged exposure to air and moisture . Insoluble in water.
2.Reactivity Profile: A ketone and an ether derivative.
4.Health Hazard: Acute/chronic hazards : Propylidene phthalide (CAS NO.17369-59-4) can cause irritation of the skin and eyes. When heated to decomposition it emits acrid smoke and fumes.
5.Fire Hazard : Propylidene phthalide (CAS NO.17369-59-4) is probably combustible.