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2-Methyl-Pentanoic Acid Propyl Ester
[CAS# 6639-14-1]

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Identification
Name 2-Methyl-Pentanoic Acid Propyl Ester
Synonyms 2-Methylpentanoic Acid Propyl Ester; 2-Methylvaleric Acid Propyl Ester; Nsc17877
Molecular Structure CAS#: 6639-14-1, 2-Methyl-Pentanoic Acid Propyl Ester
Molecular Formula C9H18O2
Molecular Weight 158.24
CAS Registry Number 6639-14-1
SMILES C(OC(=O)C(CCC)C)CC
InChI 1S/C9H18O2/c1-4-6-8(3)9(10)11-7-5-2/h8H,4-7H2,1-3H3
InChIKey AJYNZTLCODJWQR-UHFFFAOYSA-N
Properties
Density 0.9±0.1g/cm3 (Cal.)
Boiling point 176.5±8.0°C at 760 mmHg (Cal.)
Flash point 51°C (Expl.)
59.4±8.3°C (Cal.)
Safety Data
Safety Code S26;S37  Details
Risk Code R10;R36/37/38  Details
Hazard Symbol symbol  X  Details
Transport Information UN1993
Safety Description DANGER: FLAMMABLE, irritates skin, eyes, lungs
CAUTION: May irritate eyes, skin, and respiratory tract
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