Basic Information | Post buying leads | Suppliers |
Name |
Isoamyl geranate |
EINECS | N/A |
CAS No. | 68133-73-3 | Density | 0.893g/cm3 |
PSA | 26.30000 | LogP | 4.26840 |
Solubility | N/A | Melting Point |
N/A |
Formula | C15H26O2 | Boiling Point | 313.7°Cat760mmHg |
Molecular Weight | 238.41 | Flash Point | 143.4°C |
Transport Information | N/A | Appearance | N/A |
Safety | A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes. | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Isoamyl geranate;EINECS 268-700-0; |
Molecular Structure of Isoamyl geranate (CAS NO. 68133-73-3):
EINECS: 268-700-0
IUPAC Name: 3-Methylbutyl (2E)-3,7-dimethylocta-2,6-dienoate
Molecular Formula: C15H26O2
Molecular Weight: 238.365740 g/mol
XLogP3-AA: 5.1
H-Bond Donor: 0
H-Bond Acceptor: 2
Canonical SMILES: CC(C)CCOC(=O)C=C(C)CCC=C(C)C
Isomeric SMILES: CC(C)CCOC(=O)/C=C(\C)/CCC=C(C)C
InChI: InChI=1S/C15H26O2/c1-12(2)7-6-8-14(5)11-15(16)17-10-9-13(3)4/h7,11,13H,6,8-10H2,1-5H3/b14-11+
InChIKey: UYYJNVGFCCTXSK-SDNWHVSQSA-N
Index of Refraction: 1.459
Molar Refractivity: 73.07 cm3
Molar Volume: 266.8 cm3
Surface Tension: 28.7 dyne/cm
Density: 0.893 g/cm3
Flash Point: 143.4 °C
Enthalpy of Vaporization: 55.48 kJ/mol
Boiling Point: 313.7 °C at 760 mmHg
Vapour Pressure: 0.000489 mmHg at 25 °C
Water Solubility of Isoamyl geranate (CAS NO. 68133-73-3): 0.2633 mg/L at 25 °C
1. | skn-rbt 500 mg/24H MOD | FCTXAV Food and Cosmetics Toxicology. 17 (1979),831. |
Reported in EPA TSCA Inventory.
A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
Isoamyl geranate with cas registry number of 68133-73-3 is also known as (E)-3,7-Dimethyl-2,6-octadienoic acid isopentyl ester ; 2,6-Octadienoic acid, 3,7-dimethyl-, 3-methylbutyl ester, (2E)- ; 2,6-Octadienoic acid, 3,7-dimethyl-, 3-methylbutyl ester, (E)- ; 2,6-Octadienoic acid, 3,7-dimethyl-, isopentyl ester, (E)- ; 3-Methylbutyl (E)-3,7-dimethylocta-2,6-dienoate .