Calcium 3-Dodecylsulfanylpropanoate
[CAS# 36452-66-1]

Identification

• Name: Calcium 3-Dodecylsulfanylpropanoate
• Synonyms: Calcium 3-(Dodecylthio)Propanoate; Calcium 3-(Laurylthio)Propionate; Calcium 3-Dodecylthiopropanoate
• Molecular Formula: C₃₀H₅₈CaO₄S₂
• Molecular Weight: 586.99
• CAS Registry Number: 36452-66-1
• EINECS: 253-046-0
• SMILES: C(C([O-])=O)CSCCCCCCCCCCCC.C(C([O-])=O)CSCCCCCCCCCCCC.[Ca++]
• InChI: 1S/2C15H30O2S.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-13-18-14-12-15(16)17;/h2*2-14H2,1H3,(H,16,17);/q;;+2/p-2
• InChIKey: WPBKLXIJCPTIAL-UHFFFAOYSA-L

Properties

• Boiling point: 397.5°C at 760 mmHg (Cal.)
• Flash point: 194.2°C (Cal.)