Molecule structure of Cyclamen aldehyde diethyl acetal (CAS NO.7149-24-8):
IUPAC Name: 1-(3,3-Diethoxy-2-methylpropyl)-4-propan-2-ylbenzene
Molecular Weight: 264.40302 g/mol
Molecular Formula: C17H28O2
Density: 0.928 g/cm3
Boiling Point: 339.9 °C at 760 mmHg
Flash Point: 111.8 °C
Index of Refraction: 1.481
Molar Refractivity: 81.19 cm3
Molar Volume: 284.8 cm3
Polarizability: 32.18×10-24 cm3
Surface Tension: 30.9 dyne/cm
Enthalpy of Vaporization: 56.03 kJ/mol
Vapour Pressure: 0.000176 mmHg at 25 °C
XLogP3-AA: 4.7
H-Bond Acceptor: 2
Rotatable Bond Count: 8
Exact Mass: 264.20893
MonoIsotopic Mass: 264.20893
Topological Polar Surface Area: 18.5
Heavy Atom Count: 19
Complexity: 213
Canonical SMILES: CCOC(C(C)CC1=CC=C(C=C1)C(C)C)OCC
InChI: InChI=1S/C17H28O2/c1-6-18-17(19-7-2)14(5)12-15-8-10-16(11-9-15)13(3)4/h8-11,13-14,17H,6-7,12H2,1-5H3
InChIKey: YZGBDMRJUNSBTG-UHFFFAOYSA-N
EINECS: 230-470-4
Classification Code of Cyclamen aldehyde diethyl acetal (CAS NO.7149-24-8): Skin / Eye Irritant
1. | skn-rbt 500 mg/24H MOD | FCTXAV Food and Cosmetics Toxicology. 14 (1976),731. |
Reported in EPA TSCA Inventory.
A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
Cyclamen aldehyde diethyl acetal (CAS NO.7149-24-8) is also named as 3-07-00-01201 (Beilstein Handbook Reference) ; BRN 3287986 ; Hydrocinnamaldehyde, p-isopropyl-alpha-methyl-, diethyl acetal ; NSC 72021 ; alpha-Methyl-p-isopropyl hydrocinnamic aldehyde diethyl acetal ; 1-(3,3-Diethoxy-2-methylpropyl)-4-(isopropyl)benzene ; Benzene, 1-(3,3-diethoxy-2-methylpropyl)-4-(1-methylethyl)- .
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