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Home >> Chemical Listing >> Page 2597 >> 4-(2,5,6,6-Tetramethyl-2-Cyclohexen-1-Yl)-3-Buten-2-One

4-(2,5,6,6-Tetramethyl-2-Cyclohexen-1-Yl)-3-Buten-2-One
[CAS# 79-69-6]

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Identification
Name 4-(2,5,6,6-Tetramethyl-2-Cyclohexen-1-Yl)-3-Buten-2-One
Synonyms C09690; Alpha-Irone; Cis-Alpha-Irone
Molecular Structure CAS#: 79-69-6, 4-(2,5,6,6-Tetramethyl-2-Cyclohexen-1-Yl)-3-Buten-2-One
Molecular Formula C14H22O
Molecular Weight 206.33
CAS Registry Number 79-69-6
EINECS 201-219-6
SMILES [C@H]1(C([C@@H](CC=C1C)C)(C)C)\C=C\C(=O)C
InChI 1S/C14H22O/c1-10-6-7-11(2)14(4,5)13(10)9-8-12(3)15/h6,8-9,11,13H,7H2,1-5H3/b9-8+/t11-,13+/m1/s1
InChIKey JZQOJFLIJNRDHK-UZPJXDOOSA-N
Properties
Density 0.9±0.1g/cm3 (Cal.)
Boiling point 278.7±29.0°C at 760 mmHg (Cal.)
Flash point 118.4±17.5°C (Cal.)
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