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3-(Methylsulfanyl)Heptanal
[CAS# 51755-70-5]

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CAS#: 51755-70-5
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Identification
Name 3-(Methylsulfanyl)Heptanal
Synonyms (±)-3-(METHYLTHIO)HEPTANAL
Molecular Structure CAS#: 51755-70-5, 3-(Methylsulfanyl)Heptanal
Molecular Formula C8H16OS
Molecular Weight 160.28
CAS Registry Number 51755-70-5
SMILES CCCCC(CC=O)SC
InChI 1S/C8H16OS/c1-3-4-5-8(10-2)6-7-9/h7-8H,3-6H2,1-2H3
InChIKey RQOSXGWCILNIKB-UHFFFAOYSA-N
Properties
Density 0.93g/cm3 (Cal.)
Boiling point 226.363°C at 760 mmHg (Cal.)
95-96°C (Expl.)
Flash point 88.339°C (Cal.)
Refractive index 1.469-1.475 (Expl.)
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