3,7-dimethylocta-1,6-dien-3-yl propanoate
linalyl propionate
CAS: 144-39-8
Molecular Formula: C13H22O2
3,7-dimethylocta-1,6-dien-3-yl propanoate - Names and Identifiers
| Name | linalyl propionate |
| Synonyms | FEMA 2645 LINALYL PROPIONATE Linalyl propanoate linalyl propionate Linalool propanoate Propanoic acid linalyl ester 3,7-Dimethylocta-1,6-dien-3-yl propanoate 3,7-Dimethylocta-1,6-dien-3-yl propionate 3,7-dimethylocta-1,6-dien-3-yl propanoate 3,7-dimethyl-1,6-octadien-3-yl propionate 3,7-diMethylocta-1,6-dien-3-yl propionate 1,6-octadien-3-ol, 3,7-dimethyl-, propanoate Propionic acid 3,7-dimethyl-1,6-octadien-3-yl ester |
| CAS | 144-39-8 |
| EINECS | 205-627-5 |
| InChI | InChI=1/C13H22O2/c1-6-12(14)15-13(5,7-2)10-8-9-11(3)4/h7,9H,2,6,8,10H2,1,3-5H3 |
3,7-dimethylocta-1,6-dien-3-yl propanoate - Physico-chemical Properties
| Molecular Formula | C13H22O2 |
| Molar Mass | 210.31 |
| Density | 0.895g/mLat 25°C(lit.) |
| Boling Point | 115°C10mm Hg(lit.) |
| Flash Point | 207°F |
| JECFA Number | 360 |
| Vapor Presure | 5.5-9.8Pa at 20-25℃ |
| Appearance | clear liquid |
| Color | Colorless to Almost colorless |
| Refractive Index | n20/D 1.452(lit.) |
| Physical and Chemical Properties | Colorless or almost colorless liquid. Fresh fresh flowers and sweet bergamot aroma and pineapple aroma. Boiling point 226 °c. Flash point 87.2 °c. Soluble in ethanol, most non-volatile oils and mineral oils, slightly soluble in propylene glycol, insoluble in glycerol and water. |
3,7-dimethylocta-1,6-dien-3-yl propanoate - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. |
| WGK Germany | 2 |
| RTECS | RG5927903 |
| Toxicity | Both the acute oral LD50 in rats and the acute dermal LD50 in rabbits exceeded 5 g/kg (Moreno, 1973). |
3,7-dimethylocta-1,6-dien-3-yl propanoate - Reference Information
| FEMA | 2645 | LINALYL PROPIONATE |
| LogP | 4.9 at 35℃ and pH7 |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| assay | was determined by method one in the ester assay (OT-18). The amount of the sample was 1G. The equivalence factor (e) in the calculation is taken as 105.2. Or according to Gas chromatography (GT-10-4) using non-polar column method. |
| toxicity | GRAS(FEMA). |
| usage limit | FEMA(mg/kg): Soft drink 4.9; Cold drink 3.6; Candy 5.3; Baked goods 12; pudding 4.4. Moderate limits (FDA § 172.515,2000). |
| Use | GB 2760-1996 specifies the permitted use of flavorants. Mainly used in the preparation of pineapple, pear, black currant (black currant) and other types of flavor. |
| production method | consists of esterification of linalool with propionic acid or propionic anhydride. |
Last Update：2024-04-09 02:00:04
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