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Isooctyl Hydrogen Phthalate
[CAS# 30849-48-0]

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Identification
Name Isooctyl Hydrogen Phthalate
Synonyms 2-(6-Methylheptoxy-Oxomethyl)Benzoic Acid; Isooctyl Hydrogen Phthalate
Molecular Structure CAS#: 30849-48-0, Isooctyl Hydrogen Phthalate
Molecular Formula C16H22O4
Molecular Weight 278.35
CAS Registry Number 30849-48-0
EINECS 250-357-3
SMILES C1=C(C(=CC=C1)C(O)=O)C(=O)OCCCCCC(C)C
InChI 1S/C16H22O4/c1-12(2)8-4-3-7-11-20-16(19)14-10-6-5-9-13(14)15(17)18/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3,(H,17,18)
InChIKey OKQCINGECXXEQY-UHFFFAOYSA-N
Properties
Density 1.088g/cm3 (Cal.)
Boiling point 408.89°C at 760 mmHg (Cal.)
Flash point 144.085°C (Cal.)
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