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3-Heptanyl Acetate
[CAS# 5921-83-5]

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Identification
Name 3-Heptanyl Acetate
Synonyms 3-Heptanol acetate; 3-HEPTYL ACETATE
Molecular Structure CAS#: 5921-83-5, 3-Heptanyl Acetate
Molecular Formula C9H18O2
Molecular Weight 158.24
CAS Registry Number 5921-83-5
SMILES O=C(OC(CCCC)CC)C
InChI 1S/C9H18O2/c1-4-6-7-9(5-2)11-8(3)10/h9H,4-7H2,1-3H3
InChIKey QICIMADZMWGDTQ-UHFFFAOYSA-N
Properties
Density 0.874g/cm3 (Cal.)
Boiling point 176.486°C at 760 mmHg (Cal.)
185°C (Expl.)
Flash point 59.352°C (Cal.)
Refractive index 1.406-1.414 (Expl.)
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