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Name	Di(3-methylhexyl)phthalate	EINECS	N/A
CAS No.	53306-53-9	Density	0.995g/cm³
PSA	0.00000	LogP	0.00000
Solubility	N/A	Melting Point	N/A
Formula	C₂₂H₃₄O₄	Boiling Point	363.6°Cat760mmHg
Molecular Weight	362.56	Flash Point	192.4°C
Transport Information	N/A	Appearance	N/A
Safety	Mildly toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating fumes.	Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	N/A

Di(3-methylhexyl)phthalate Chemical Properties

Molecule structure of Di(3-methylhexyl)phthalate (CAS NO.53306-53-9):

IUPAC Name: Bis(3-methylhexyl) benzene-1,2-dicarboxylate
Molecular Weight: 362.50296 g/mol
Molecular Formula: C₂₂H₃₄O₄
Density: 0.995 g/cm³
Boiling Point: 363.6 °C at 760 mmHg
Flash Point: 192.4 °C
Index of Refraction: 1.49
Molar Refractivity: 105.31 cm³
Molar Volume: 364 cm³
Polarizability: 41.74×10^-24 cm³
Surface Tension: 35.5 dyne/cm
Enthalpy of Vaporization: 60.96 kJ/mol
Vapour Pressure: 1.79E-05 mmHg at 25 °C
XLogP3: 7.8
H-Bond Acceptor: 4
Rotatable Bond Count: 14
Exact Mass: 362.24571
MonoIsotopic Mass: 362.24571
Topological Polar Surface Area: 52.6
Heavy Atom Count: 26
Complexity: 369
Canonical SMILES: CCCC(C)CCOC(=O)C1=CC=CC=C1C(=O)OCCC(C)CCC
InChI: InChI=1S/C22H34O4/c1-5-9-17(3)13-15-25-21(23)19-11-7-8-12-20(19)22(24)26-16-14-18(4)10-6-2/h7-8,11-12,17-18H,5-6,9-10,13-16H2,1-4H3
InChIKey of Di(3-methylhexyl)phthalate (CAS NO.53306-53-9): PLVCZTJOXIYQSA-UHFFFAOYSA-N

Di(3-methylhexyl)phthalate Toxicity Data With Reference

1.	orl-rat LD50:35,500 mg/kg	GTPZAB Gigiena Truda i Professionalnye Zabolevaniia. Labor Hygiene and Occupational Diseases. 24 (3)(1980),25.
2.	orl-mus LD50:35,500 mg/kg	GTPZAB Gigiena Truda i Professionalnye Zabolevaniia. Labor Hygiene and Occupational Diseases. 24 (3)(1980),25.
3.	orl-gpg LD50:35,500 mg/kg	GTPZAB Gigiena Truda i Professionalnye Zabolevaniia. Labor Hygiene and Occupational Diseases. 24 (3)(1980),25.

Di(3-methylhexyl)phthalate Safety Profile

Mildly toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating fumes.

Di(3-methylhexyl)phthalate Specification

Di(3-methylhexyl)phthalate (CAS NO.53306-53-9) is also named as Phthalic acid, bis(3-methylhexyl) ester .

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