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Pentanal
[CAS# 27154-67-2]

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Identification
Name Pentanal
Synonyms Chebi:16472; 46211_Riedel; 2-Pentanone
Molecular Structure CAS#: 27154-67-2, Pentanal
Molecular Formula C5H10O
Molecular Weight 86.13
CAS Registry Number 27154-67-2
SMILES C(C(C)=O)CC
InChI 1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3
InChIKey XNLICIUVMPYHGG-UHFFFAOYSA-N
Properties
Density 0.8±0.1g/cm3 (Cal.)
20 (Expl.)
Melting point -78°C (Expl.)
Boiling point 101.6667°C (Expl.)
102.7±3.0°C at 760 mmHg (Cal.)
Flash point 7.222°C (Cal.)
7.2222°C (Expl.)
Refractive index 1.3905 (Expl.)
solubility 6%
Safety Data
Safety Code S26;S36  Details
Risk Code R11;R22;R36/37  Details
Hazard Symbol symbol  symbol  X;F  Details
Transport Information UN1249
Safety Description Safety glasses, adequate ventilation.
FLAMMABLE / HARMFUL / IRRITANT
References
(1) M. Brunelli, M. A. Neumann, A. N. Fitch and A. J. Mora. Temperature phase changes in solid bicyclo[3.3.1]nonane-2,6-dione and bicyclo[3.3.1]nonane-3,7-dione from powder X-ray diffraction data, J. Appl. Cryst. (2007). 40, 702-709 
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