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| Name |
Isobutyl linalol |
EINECS | N/A |
| CAS No. | 56105-46-5 | Density | 0.855g/cm3 |
| PSA | 20.23000 | LogP | 3.69600 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C13H24 O | Boiling Point | 275.9°Cat760mmHg |
| Molecular Weight | 196.333 | Flash Point | 98.2°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | A skin irritant. When heated to decomposition it emits acrid smoke and irritating vapors. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
3,7,9-Trimethyl-1,6-decadien-3-ol;Isobutyllinalol |
Isobutyl linalol Chemical Properties
Empirical Formula of Isobutyl linalol (CAS NO.56105-46-5): C13H24O
Molecular Weight: 196.3291 g/mol
EINECS: 259-994-1
Index of Refraction: 1.464
Density: 0.855 g/cm3
Flash Point: 98.2 °C
Enthalpy of Vaporization: 59.72 kJ/mol
Boiling Point: 275.9 °C at 760 mmHg
Vapour Pressure: 0.000619 mmHg at 25 °C
Structure of Isobutyl linalol (CAS NO.56105-46-5):
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IUPAC Name: (6E)-3,7,9-Trimethyldeca-1,6-dien-3-ol
Canonical SMILES: CC(C)CC(=CCCC(C)(C=C)O)C
Isomeric SMILES: CC(C)C/C(=C/CCC(C)(C=C)O)/C
InChI: InChI=1S/C13H24O/c1-6-13(5,14)9-7-8-12(4)10-11(2)3/h6,8,11,14H,1,7,9-10H2,2-5H3/b12-8+
InChIKey: XVNDKDXSDQQJTO-XYOKQWHBSA-N
Isobutyl linalol Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rabbit | LD50 | skin | > 5gm/kg (5000mg/kg) | Food and Cosmetics Toxicology. Vol. 17, Pg. 837, 1979. | |
| rat | LD50 | oral | > 5gm/kg (5000mg/kg) | Food and Cosmetics Toxicology. Vol. 17, Pg. 837, 1979. |
Isobutyl linalol Consensus Reports
Reported in EPA TSCA Inventory.
Isobutyl linalol Safety Profile
A skin irritant. When heated to decomposition Isobutyl linalol (CAS NO.56105-46-5) emits acrid smoke and irritating vapors.
Isobutyl linalol Specification
Isobutyl linalol , its cas register number is 56105-46-5. It also can be called 3,7,9-Trimethyl-1,6-decadien-3-ol ; 1,6-Decadien-3-ol, 3,7,9-trimethyl- ; and 3,7,9-Trimethyldeca-1,6-dien-3-ol .
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