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1,3-Butanediol-1,3-Dioctanoate
[CAS# 4554-00-1]

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CAS#: 4554-00-1
Product: 1,3-Butanediol-1,3-Dioctanoate
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Identification
Name 1,3-Butanediol-1,3-Dioctanoate
Synonyms (1-Methyl-3-Octanoyloxy-Propyl) Octanoate; Octanoic Acid [1-Methyl-3-(1-Oxooctoxy)Propyl] Ester; Caprylic Acid (3-Caprylyloxy-1-Methyl-Propyl) Ester
Molecular Structure CAS#: 4554-00-1, 1,3-Butanediol-1,3-Dioctanoate
Molecular Formula C20H38O4
Molecular Weight 342.52
CAS Registry Number 4554-00-1
SMILES C(C(OC(=O)CCCCCCC)C)COC(=O)CCCCCCC
InChI 1S/C20H38O4/c1-4-6-8-10-12-14-19(21)23-17-16-18(3)24-20(22)15-13-11-9-7-5-2/h18H,4-17H2,1-3H3
InChIKey LFESLSYSZQYEIZ-UHFFFAOYSA-N
Properties
Density 0.936g/cm3 (Cal.)
Boiling point 420.311°C at 760 mmHg (Cal.)
Flash point 196.376°C (Cal.)
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