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- Linalyl isobutyrate
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Cas Database |
| Name |
Linalyl isobutyrate |
EINECS | 201-108-2 |
| CAS No. | 78-35-3 | Density | 0.89g/cm3 |
| PSA | 26.30000 | LogP | 3.87670 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C14H24 O2 | Boiling Point | 261.3oC at 760 mmHg |
| Molecular Weight | 224.343 | Flash Point | 73.3oC |
| Transport Information | N/A | Appearance | N/A |
| Safety | Combustible liquid. Mildly toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating fumes. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
Isobutyricacid, 1,5-dimethyl-1-vinyl-4-hexenyl ester (7CI,8CI); Isobutyric acid, linalylester (6CI); Propanoic acid, 2-methyl-, 1-ethenyl-1,5-dimethyl-4-hexenyl ester(9CI); 1,6-Octadien-3-ol, 3,7-dimethyl-, isobutyrate (8CI); Linaloolisobutyrate; Linalyl isobutyrate; NSC 46145 |
Article Data | 4 |
Linalyl isobutyrate Chemical Properties
IUPAC Name: 3,7-Dimethylocta-1,6-dien-3-yl 2-methylpropanoate
Synonyms: 3,7-Dimethyl-1,6-octadien-3-yl isobutyrate ; 3,7-Dimethylocta-1,6-dien-3-yl 2-methylpropanoate ; Linalool, isobutyrate ; Propanoic acid, 2-methyl-,1-ethenyl-1,5-dimethyl-4-hexen-1-yl ester
CAS NO: 78-35-3
Molecular Formula of Linalyl isobutyrate (CAS NO.78-35-3) : C14H24O2
Molecular Weight of Linalyl isobutyrate (CAS NO.78-35-3) :224.34
Molecular Structure of Linalyl isobutyrate (CAS NO.78-35-3) : 
EINECS: 201-108-2
Mol File: 78-35-3.mol
FEMA : 2640
Index of Refraction: 1.453
Surface Tension: 27.7 dyne/cm
Density: 0.89 g/cm3
Flash Point: 73.3 °C
Enthalpy of Vaporization: 49.9 kJ/mol
Boiling Point: 261.3 °C at 760 mmHg
Vapour Pressure: 0.0117 mmHg at 25°C
Appearance: colorless to pale yellow liquid.
Solubility: miscible in ethanol, ether and chloroform, insoluble in water.
Linalyl isobutyrate Uses
GB 2760 - 1996 provides for the use of edible spices. Linalyl isobutyrate (CAS NO.78-35-3) is mainly for flavor in the preparation of spike-like black currant, cherries and berries .
Linalyl isobutyrate Production
Raw materials: Linalool-->Isobutyric anhydride
Linalyl isobutyrate (CAS NO.78-35-3) is derived by esterification of Isobutyl anhydride with Linalool .
Linalyl isobutyrate Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | oral | 15100mg/kg (15100mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: EXCITEMENT SKIN AND APPENDAGES (SKIN): HAIR: OTHER | Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964. |
| rabbit | LD50 | skin | > 5gm/kg (5000mg/kg) | Food and Cosmetics Toxicology. Vol. 13, Pg. 835, 1975. | |
| rat | LD50 | oral | > 36300mg/kg (36300mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" SKIN AND APPENDAGES (SKIN): HAIR: OTHER | Food and Cosmetics Toxicology. Vol |
Linalyl isobutyrate Consensus Reports
Reported in EPA TSCA Inventory.
Linalyl isobutyrate Safety Profile
Combustible liquid. Mildly toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating fumes.
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