3-Mercaptohexyl hexanoate

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Catalog Number
ACM136954228
Product Name
3-Mercaptohexyl hexanoate
Structure
Structure
CAS
136954-22-8
Category
Heterocyclic Organic Compound
Synonyms
Hexanoic acid, 3-mercaptohexyl ester
IUPAC Name
3-Sulfanylhexyl hexanoate
Molecular Weight
232.38
Molecular Formula
C12H24O2S
Canonical SMILES
CCCCCC(=O)OCCC(CCC)S
InChI
InChI=1S/C12H24O2S/c1-3-5-6-8-12(13)14-10-9-11(15)7-4-2/h11,15H,3-10H2,1-2H3
InChI Key
KVXKOWZLYWBURN-UHFFFAOYSA-N
Boiling Point
307.6±25.0 °C
Density
0.950±0.06 g/cm³
Solubility
Insoluble in water; soluble in 50% heptane and ethanol, 10% triacetin
Exact Mass
232.14970118
Monoisotopic Mass
232.14970118
Physical State
Liquid
Refractive Index
n20/D 1.4595-1.4695(lit.)
Topological Polar Surface Area
27.3 Ų
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