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racMono(3,5,5-trimethylhexyl)Phthalate

racMono(3,5,5-trimethylhexyl)Phthalate structure

CAS No:
297182-83-3
Formula:
C17H24O4
Chemical Name:
racMono(3,5,5-trimethylhexyl)Phthalate
Synonyms:
1,2-Benzenedicarboxylic Acid 1-(3,5,5-TriMethylhexyl) Ester;1,2-Benzenedicarboxylic Acid Mono(3,5,5-triMethylhexyl) Ester;rac Mono(3,5,5-trimethylhexyl) Phthalate

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racMono(3,5,5-trimethylhexyl)Phthalate Basic Attributes

Molecular Weight：

292.37

Exact Mass：

291.15963421

Characteristics

Density：

1.073±0.06 g/cm3

Melting Point：

43-45°C

Boiling Point：

411.4±28.0 °C(Predicted)

PKA：

3.38±0.36

racMono(3,5,5-trimethylhexyl)Phthalate Use and Manufacturing

Phthalate metabolite.

Computed Properties

Molecular Weight:291.4
XLogP3:6
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:291.15963421
Monoisotopic Mass:291.15963421
Topological Polar Surface Area:66.4
Heavy Atom Count:21
Formal Charge:-1
Complexity:351
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of racMono(3,5,5-trimethylhexyl)Phthalate

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties

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