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Heptanone
[CAS# 29299-43-2]

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Identification
Name Heptanone
Synonyms Methyl-N-Pentyl Ketone; 537683_Sial; 68592_Fluka
Molecular Structure CAS#: 29299-43-2, Heptanone
Molecular Formula C7H14O
Molecular Weight 114.19
CAS Registry Number 29299-43-2
SMILES C(CCCC)C(C)=O
InChI 1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3
InChIKey CATSNJVOTSVZJV-UHFFFAOYSA-N
Properties
Density 0.8±0.1g/cm3 (Cal.)
20 (Expl.)
Melting point -35°C (Expl.)
Boiling point 151.6667°C (Expl.)
151.2±3.0°C at 760 mmHg (Cal.)
Flash point 47.222°C (Cal.)
38.8889°C (Expl.)
Refractive index 1.408 (Expl.)
solubility 0.4%
Safety Data
Safety Code S24/25  Details
Risk Code R10;R20/22  Details
Hazard Symbol symbol  X  Details
Transport Information UN1110
Safety Description 10/20/2022 12:00:00 AM
Safety glasses, adequate ventilation.
DANGER: FLAMMABLE, causes narcosis, irritation
References
(1) Linnan He and Peter C. Jurs. Assessing the Reliability of a QSAR Model's Predictions, J. Mol. Graphics Modell. 2005, 23(6), 503-523
Market Analysis Reports
List of Reports Available for Heptanone
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