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| CAS No.: | 105-86-2 |
|---|---|
| Name: | 2,6-Octadien-1-ol,3,7-dimethyl-, 1-formate, (2E)- |
| Molecular Structure: | |
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| Formula: | C11H18O2 |
| Molecular Weight: | 182.263 |
| Synonyms: | 2,6-Octadien-1-ol,3,7-dimethyl-, formate, (2E)- (9CI);2,6-Octadien-1-ol, 3,7-dimethyl-, formate,(E)- (8CI);Geraniol formate (6CI);(E)-3,7-Dimethyl-2,6-octadien-1-ol formate;(E)-3,7-Dimethyl-2,6-octadienyl formate;NSC 21736;trans-2,6-Dimethyl-2,6-octadien-8-yl methanoate;trans-3,7-Dimethyl-2,6-octadien-1-yl formate; |
| EINECS: | 203-339-4 |
| Density: | 0.908 g/cm3 |
| Boiling Point: | 256.5 °C at 760 mmHg |
| Flash Point: | 109.1 °C |
| Solubility: | Insoluble |
| Appearance: | Colorless to light yellow oily liquid |
| Safety: | 24/25 |
| PSA: | 26.30000 |
| LogP: | 3.48800 |
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Consensus Reports
Reported in EPA TSCA Inventory.
Specification
The IUPAC name of this product is [(2E)-3,7-dimethylocta-2,6-dienyl] formate . With the CAS Registry Number 105-86-2, it is also named as 2,6-Octadien-1-ol, 3,7-dimethyl-, formate, (E)- ; 3,7-Dimethyl-2,6-octadien-1-yl methanoate, trans- ; 3,7-Dimethyl-2,6-octadienyl formate, (E)- ; 4-02-00-00035 (Beilstein Handbook Reference) ; AI3-01978 ; BRN 1724191 ; Formic acid, 3,7-dimethyl-2,6-octadienyl ester, (E)- ; Formic acid, geraniol ester ; Geraniol formate ; Geranyl formate (natural) ; Geranyl methanoate ; trans-3,7-Dimethyl-2,6-octadien-1-ol formate ; trans-3,7-Dimethyl-2,6-octadien-1-yl formate ; 2,6-Octadien-1-ol, 3,7-dimethyl-, 1-formate, (2E)- .
The [(2E)-3,7-Dimethylocta-2,6-dienyl] formate is colorless transparent liquid with fresh fragrance of rose leaves. It is miscible with ethanol, ether, chloroform and petroleum ether, and almost insoluble in water. This product can be used in the preparation of essence of rose, lemon diurnal, apple and peach. It also used as food spices which is allowed by GB 2760-96. The irritantion of [(2E)-3,7-Dimethylocta-2,6-dienyl] formate is strong, so people should not use a lot.
The [(2E)-3,7-Dimethylocta-2,6-dienyl] formate has low toxicity by ingestion and skin contact. It also has a human skin irritant and an experimental eye irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
The [(2E)-3,7-Dimethylocta-2,6-dienyl] formate is obtained by the following method. Mix geraniol and anhydrous formic acid with 2:1, add appropriate amount of mineral acid as catalyst, put it at room temperature for eight days, and after washing and neutralization, obtain pure product by vacuum distillation.
The following is the toxicity data.
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rabbit | LD50 | skin | > 5gm/kg (5000mg/kg) | Food and Cosmetics Toxicology. Vol. 12, Pg. 893, 1974. | |
| rat | LD50 | oral | > 6gm/kg (6000mg/kg) | Food and Cosmetics Toxicology. Vol. 12, Pg. 893, 1974. |