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CAS No.: | 29886-96-2 |
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Name: | CYCLAMENALDEHYDEDIMETHYLACETAL |
Molecular Structure: | |
Formula: | C15H24 O2 |
Molecular Weight: | 236.39 |
Synonyms: | Hydrocinnamaldehyde,p-isopropyl-a-methyl-,dimethyl acetal (8CI); Cyclamen aldehyde dimethyl acetal |
Density: | 0.938g/cm3 |
Boiling Point: | 307°Cat760mmHg |
Flash Point: | 102.9°C |
Safety: | A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes. |
PSA: | 18.46000 |
LogP: | 3.60750 |
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Molecule structure of Cyclamen aldehyde dimethyl acetal (CAS NO.29886-96-2):
IUPAC Name: 1-(3,3-Dimethoxy-2-methylpropyl)-4-propan-2-ylbenzene
Molecular Weight: 236.34986 g/mol
Molecular Formula: C15H24O2
Density: 0.938 g/cm3
Boiling Point: 307 °C at 760 mmHg
Flash Point: 102.9 °C
Index of Refraction: 1.483
Molar Refractivity: 71.92 cm3
Molar Volume: 251.8 cm3
Polarizability: 28.51×10-24 cm3
Surface Tension: 30.5 dyne/cm
Enthalpy of Vaporization: 52.57 kJ/mol
Vapour Pressure: 0.00135 mmHg at 25 °C
XLogP3-AA: 4
H-Bond Acceptor: 2
Rotatable Bond Count: 6
Exact Mass: 236.17763
MonoIsotopic Mass: 236.17763
Topological Polar Surface Area: 18.5
Heavy Atom Count: 17
Complexity: 191
Canonical SMILES: CC(C)C1=CC=C(C=C1)CC(C)C(OC)OC
InChI: InChI=1S/C15H24O2/c1-11(2)14-8-6-13(7-9-14)10-12(3)15(16-4)17-5/h6-9,11-12,15H,10H2,1-5H3
InChIKey: ZGNMAGBUXLWHOL-UHFFFAOYSA-N
Classification Code of Cyclamen aldehyde dimethyl acetal (CAS NO.29886-96-2): Skin / Eye Irritant
1. | skn-rbt 500 mg/24H MOD | FCTOD7 Food and Chemical Toxicology. 20 (1982),659. |
A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
Cyclamen aldehyde dimethyl acetal (CAS NO.29886-96-2) is also named as 1-(3,3-Dimethoxy-2-methylpropyl)-4-(1-methylethyl)benzene ; Hydrocinnamaldehyde, p-isopropyl-alpha-methyl-, dimethyl acetal ; alpha-Methyl-para-isopropylhydrocinnamic aldehyde dimethyl acetal ; Benzene, 1-(3,3-dimethoxy-2-methylpropyl)-4-(1-methylethyl)- ; Propionaldehyde, 2-(para-isopropylbenzyl)-, dimethyl acetal .