1077-27-6

Name 5-[(3S)-Dithiolan-3-yl]pentanoic acid
CAS 1077-27-6
Molecular Formula C8H14O2S2
MDL Number MFCD01863481
Molecular Weight 206.33
MOL File 1077-27-6.mol
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Chemical Properties

Melting point  47 °C
alpha  D23 -113° (c = 1.88 in benzene)
Boiling point  362.5±11.0 °C(Predicted)
density  1.218±0.06 g/cm3(Predicted)
refractive index  -114 ° (C=1, EtOH)
storage temp.  ?20°C
solubility  Chloroform (Slightly, Heated), Methanol (Slightly)
form  Solid
pka 4.75±0.10(Predicted)
color  Pale Yellow to Light Yellow
Merck  9326
BRN  81852
InChI 1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)/t7-/m0/s1
InChIKey AGBQKNBQESQNJD-ZETCQYMHSA-N
SMILES OC(=O)CCCC[C@H]1CCSS1 || OC(=O)CCCC[C@H]1CCSS1
LogP 2.160 (est)

Safety Data

Hazard Codes  Xn
Risk Statements 
WGK Germany  3
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral

Hazard Information

Spectrum Detail

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