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| CAS No.: | 698-76-0 |
|---|---|
| Name: | 5-Hydroxyoctanoic acid lactone |
| Molecular Structure: | |
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| Formula: | C8H14 O2 |
| Molecular Weight: | 142.198 |
| Synonyms: | Octanoicacid, 5-hydroxy-, lactone (6CI); Octanoic acid, 5-hydroxy-, d-lactone (7CI); (RS)-d-Octalactone; (?à)-d-Octalactone; 5-Hydroxyoctanoic acid lactone;5-Hydroxyoctanoic acid d-lactone; 5-Octanolide; Tetrahydro-6-propyl-2H-pyran-2-one; d-Octalactone; d-Octanolactone; d-Propyl-d-valerolactone |
| EINECS: | 211-820-5 |
| Density: | 1,002 g/cm3 |
| Melting Point: | -14°C |
| Boiling Point: | 238°C |
| Flash Point: | 125°C |
| Solubility: | Insoluble in water; soluble in alcohol. |
| Appearance: | colorless to pale yellow liquid |
| Hazard Symbols: | R36/38:Irritating to eyes and skin.; |
| 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 vapors. |
| PSA: | 26.30000 |
| LogP: | 1.88220 |
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Chemistry
IUPAC Name: 6-Propyloxan-2-one
Synonyms : 5-Hydroxyoctanoic acid lactone ; 5-Octanolide ; 5-Propyl-5-hydroxypentanoic acid lactone ; Tetrahydro-6-propyl-2H-pyran-2-one
Molecular Structure: 
Molecular Formula : C8H14O2
Molecular Weight : 142.20
CAS NO: 698-76-0
EINECS : 211-820-5
Mol File: 698-76-0.mol
Index of Refraction: 1.436
Surface Tension: 29.2 dyne/cm
Density: 0.96 g/cm3
Flash Point: 92.2 °C
Enthalpy of Vaporization: 47.67 kJ/mol
Boiling Point: 239.8 °C at 760 mmHg
Vapour Pressure: 0.0394 mmHg at 25°C
Melting point: -14°C
FEMA : 3214
BRN : 111515
Appearance: 5-Octanolide (CAS NO.698-76-0) is colorless to pale yellow liquid,like aroma of cocoa, coconut and cream.
Uses
GB 2760-1996 provides that 5-Octanolide (CAS NO.698-76-0) can be used for edible spices.
Production
5 - Hydroxy octanoic acid is reduced by NaBH4 , then lactonization ,at last obtaining 5-Octanolide (CAS NO.698-76-0).
Toxicity Data With Reference
| 1. | skn-rbt 500 mg/24H MOD | FCTOD7 Food and Chemical Toxicology. 20 (1980),783. | ||
| 2. | orl-rat LD50:>5 g/kg | FCTOD7 Food and Chemical Toxicology. 20 (1980),783. | ||
| 3. | skn-rbt LD50:>5 g/kg | FCTOD7 Food and Chemical Toxicology. 20 (1980),783. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Risk Statements 36/37/38
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
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 UQ1355500