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Home >> Chemical Listing >> Page 735 >> (1S,2S,4R)-2-Isopropyl-1,4-Cyclohexanediol

(1S,2S,4R)-2-Isopropyl-1,4-Cyclohexanediol
[CAS# 179249-41-3]

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Identification
Name (1S,2S,4R)-2-Isopropyl-1,4-Cyclohexanediol
Synonyms (1S,2S,4R)-2-isopropylcyclohexane-1,4-diol
Molecular Structure CAS#: 179249-41-3, (1S,2S,4R)-2-Isopropyl-1,4-Cyclohexanediol
Molecular Formula C9H18O2
Molecular Weight 158.24
CAS Registry Number 179249-41-3
SMILES O[C@@H]1[C@H](C(C)C)C[C@H](O)CC1
InChI 1S/C9H18O2/c1-6(2)8-5-7(10)3-4-9(8)11/h6-11H,3-5H2,1-2H3/t7-,8+,9+/m1/s1
InChIKey XSEWIIKMVMWAKL-VGMNWLOBSA-N
Properties
Density 1.037g/cm3 (Cal.)
Boiling point 267.12°C at 760 mmHg (Cal.)
Flash point 123.752°C (Cal.)
Refractive index 1.498 (Cal.)
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