(Z)-2-Methyl-4-propyl-1,3-oxathiane

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Catalog Number
ACM59323761
Product Name
(Z)-2-Methyl-4-propyl-1,3-oxathiane
Structure
Structure
CAS
59323-76-1
Category
Heterocyclic Organic Compound
Synonyms
Cis-galbanum oxathiane
IUPAC Name
(2R,4S)-2-Methyl-4-propyl-1,3-oxathiane
Molecular Weight
160.28
Molecular Formula
C8H16OS
Canonical SMILES
CCCC1CCOC(S1)C
InChI
InChI=1S/C8H16OS/c1-3-4-8-5-6-9-7(2)10-8/h7-8H,3-6H2,1-2H3/t7-,8+/m1/s1
InChI Key
GKGOLPMYJJXRGD-SFYZADRCSA-N
Boiling Point
226.5±33.0 °C
Flash Point
74 °C
Density
0.937±0.06 g/cm³
Solubility
water, 672.1 mg/L @ 25 °C (est)
Appearance
Colorless to pale yellow clear liquid (est)
Assay
0.98
EC Number
614-109-1
Exact Mass
160.0921863
H-Bond Acceptor
1
H-Bond Donor
0
Isomeric SMILES
CCC[C@H]1CCO[C@H](S1)C
Monoisotopic Mass
160.0921863
Packaging
1 kg
Physical State
Liquid
Refractive Index
n20/D 1.459-1.463(lit.)
Topological Polar Surface Area
34.5 Ų
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