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Home >> Chemical Listing >> Page 1448 >> 4-(2-Methylpentyl)Benzoic Acid

4-(2-Methylpentyl)Benzoic Acid
[CAS# 38861-90-4]

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Identification
Name 4-(2-Methylpentyl)Benzoic Acid
Synonyms Benzoic Acid, P-(2-Methylpentyl); Nsc 173005; Nsc173005
Molecular Structure CAS#: 38861-90-4, 4-(2-Methylpentyl)Benzoic Acid
Molecular Formula C13H18O2
Molecular Weight 206.28
CAS Registry Number 38861-90-4
SMILES C1=C(C(=O)O)C=CC(=C1)CC(CCC)C
InChI 1S/C13H18O2/c1-3-4-10(2)9-11-5-7-12(8-6-11)13(14)15/h5-8,10H,3-4,9H2,1-2H3,(H,14,15)
InChIKey ITAISUHROJYPGX-UHFFFAOYSA-N
Properties
Density 1.025g/cm3 (Cal.)
Boiling point 324.128°C at 760 mmHg (Cal.)
Flash point 155.123°C (Cal.)
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