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Linalyl isovalerate

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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 Molecular Structure of 1118-27-0 (LINALYL ISOVALERATE) 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

 

Linalyl isovalerate Chemical Properties

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

Linalyl isovalerate Toxicity Data With Reference

1.    

skn-rbt 500 mg/24H MOD

    FCTXAV    Food and Cosmetics Toxicology. 16 (1978),811.

Linalyl isovalerate Consensus Reports

Reported in EPA TSCA Inventory.

Linalyl isovalerate Safety Profile

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 Specification

 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 .

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