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Name |
Linalyl isovalerate |
EINECS | N/A |
CAS No. | 1118-27-0 | Density | 0.885 g/mL at 25oC(lit.) |
PSA | 26.30000 | LogP | 4.26680 |
Solubility | N/A | Melting Point |
N/A |
Formula | C15H26 O2 | Boiling Point | 188oC(lit.) |
Molecular Weight | 238.41 | Flash Point | 229 °F |
Transport Information | N/A | Appearance | N/A |
Safety | A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS. | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | ||
Synonyms |
Butanoicacid, 3-methyl-, 1-ethenyl-1,5-dimethyl-4-hexenyl ester (9CI); Isovaleric acid,1,5-dimethyl-1-vinyl-4-hexenyl ester (7CI,8CI); Isovaleric acid, linalyl ester(6CI); 1,6-Octadien-3-ol, 3,7-dimethyl-, isovalerate (8CI); Linalylisovalerate; Linalyl-3-methylbutanoate |
Empirical Formula of Linalyl isovalerate (CAS NO.1118-27-0): C15H26O2
Molecular Weight: 238.3657 g/mol
Index of Refraction: 1.455
Density: 0.887 g/cm3
Flash Point: 75.8 °C
Enthalpy of Vaporization: 51.82 kJ/mol
Boiling Point: 279.5 °C at 760 mmHg
Vapour Pressure: 0.004 mmHg at 25 °C
Structure of Linalyl isovalerate (CAS NO.1118-27-0):
IUPAC Name: 3,7-Dimethylocta-1,6-dien-3-yl 3-methylbutanoate
Canonical SMILES: CC(C)CC(=O)OC(C)(CCC=C(C)C)C=C
InChI: InChI=1S/C15H26O2/c1-7-15(6,10-8-9-12(2)3)17-14(16)11-13(4)5/h7,9,13H,1,8,10-11H2,2-6H3
InChIKey: WCDGWAIZRYMVOW-UHFFFAOYSA-N
1. | skn-rbt 500 mg/24H MOD | FCTXAV Food and Cosmetics Toxicology. 16 (1978),811. |
Reported in EPA TSCA Inventory.
A skin irritant. When heated to decomposition Linalyl isovalerate (CAS NO.1118-27-0) emits acrid smoke and irritating fumes. See also ESTERS.
Linalyl isovalerate , its cas register number is 1118-27-0. It also can be called 3,7-Dimethyl-1,6-octadien-3-yl isovalerate ; Linalyl 3-methylbutanoate ; and 1,5-Dimethyl-1-vinylhex-4-enyl isovalerate .