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3-Mercaptopropanoic Acid 8-Methylnonyl Ester
[CAS# 68908-14-5]

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Identification
Name 3-Mercaptopropanoic Acid 8-Methylnonyl Ester
Synonyms 3-Mercaptopropanoic Acid 8-Methylnonyl Ester; 3-Mercaptopropionic Acid 8-Methylnonyl Ester; Isodecyl Beta-Mercaptopropionate
Molecular Structure CAS#: 68908-14-5, 3-Mercaptopropanoic Acid 8-Methylnonyl Ester
Molecular Formula C13H26O2S
Molecular Weight 246.41
CAS Registry Number 68908-14-5
SMILES C(C(=O)OCCCCCCCC(C)C)CS
InChI 1S/C13H26O2S/c1-12(2)8-6-4-3-5-7-10-15-13(14)9-11-16/h12,16H,3-11H2,1-2H3
InChIKey QIKRYNCEAIKQEH-UHFFFAOYSA-N
Properties
Density 0.944g/cm3 (Cal.)
Boiling point 320.022°C at 760 mmHg (Cal.)
Flash point 176.578°C (Cal.)
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