Octanolide-1,4
Gamma-Octanoic lactone
CAS: 104-50-7
Molecular Formula: C8H14O2
Octanolide-1,4 - Names and Identifiers
| Name | Gamma-Octanoic lactone |
| Synonyms | octan-4- Octan-4-olide g-Octalactone octan-4-olide Octanolide-1,4 Gamma-Octalactone a-Octanoic lactone Octano-1,4-lactone Gamma-Octanoic lactone Octanoic acid, gamma lactone 5-butyldihydrofuran-2(3H)-one (5S)-5-butyldihydrofuran-2(3H)-one (5R)-5-butyldihydrofuran-2(3H)-one 4-Hydroxyoctanoic acid gamma-lactone 4-n-Butyl-4-hydroxybutyric acid lactone Octanoic acid, 4-hydroxy-, gamma-lactone γ-octalactone,γ-octalactone,4-octanolide,4,5-dihydro-5-butyl-2(3H)-furanone |
| CAS | 104-50-7 |
| EINECS | 203-208-1 |
| InChI | InChI=1/C8H14O2/c1-2-3-4-7-5-6-8(9)10-7/h7H,2-6H2,1H3/t7-/m0/s1 |
| InChIKey | IPBFYZQJXZJBFQ-UHFFFAOYSA-N |
Octanolide-1,4 - Physico-chemical Properties
| Molecular Formula | C8H14O2 |
| Molar Mass | 142.2 |
| Density | 0.981g/mLat 25°C(lit.) |
| Melting Point | 91 °C(Solv: ethanol (64-17-5)) |
| Boling Point | 234°C(lit.) |
| Flash Point | >230°F |
| JECFA Number | 226 |
| Water Solubility | 5.6-8.096g/L at 20℃ |
| Vapor Presure | 1hPa at 20℃ |
| Appearance | Liquid |
| Color | Clear colorless |
| Odor | coconut odor |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | n20/D 1.444(lit.) |
| Physical and Chemical Properties | Colorless to yellowish oily liquid. Peach, coconut-like sweet fruit aroma and oat bread aroma. Boiling point 234 °c, flash point> 100 °c. Soluble in ethanol and oil, slightly soluble in water, insoluble in propylene glycol. Natural products are found in apricot and peach, etc. |
Octanolide-1,4 - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 38 - Irritating to the skin |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S37/39 - Wear suitable gloves and eye/face protection S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. |
| WGK Germany | 1 |
| RTECS | LU3562000 |
| TSCA | Yes |
| HS Code | 29322090 |
| Toxicity | LD50 orl-rat: 4400 mg/kg FCTXAV 14,821,76 |
Octanolide-1,4 - Reference Information
| FEMA | 2796 | GAMMA-OCTALACTONE |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| content analysis | gas chromatography analysis with polar column according to GT-10-4. |
| toxicity | GRAS(FEMA). LD50 4400 mg/kg (rat, oral). |
| usage limit | FEMA(mg/kg): soft drink 4.8; Cold drink 16; Candy 16; Baked goods 17; Pudding 15; Syrup 57. Moderates are limited (FDA § 172.515,2000). |
| use | GB 2760-1996 specifies edible spices that are allowed to be used. Mainly used to prepare cream, vanilla, cheese, caramel, coconut, peach and apricot flavors. Suitable for heavy flower fragrance types such as gardenia, tuberose, hyacinth, and even lily fragrance. It can also be used as a modifier or coumarin substitute for fragrant myrtle, lavender and herbal fragrance. It can also be used in coconut, nuts, cream, vanilla beans, cheese caramel, rum and other edible flavors. |
| production method | is formed by reacting 1,2-epoxyhexane with sodium malonate, then saponification and internal esterification. |
Last Update：2024-04-09 20:49:11
