Ketone, 4-decyloxy-2-hydroxyphenyl 4-decyloxyphenyl (6285-34-3),Ketone, 4-decyloxy-2-hydroxyphenyl 4-decyloxyphenyl (6285-34-3) Manufacturers & Suppliers,Synthesis,MSDS

Basic information

Name:
4-DECYLOXY-2-HYDROXYPHENYL 4-DECYL-XYHENYL KETONE
CAS No.:
6285-34-3
Molecular Structure:
Formula:
C₃₃H₅₀O₄
Molecular Weight:
510.83
Density:
0.999g/cm³
Boiling Point:
615.9°Cat760mmHg
Flash Point:
185.6°C
Safety Description:
A poison by intravenous route. A flammable liquid. When heated to decomposition it emits acrid smoke and irritating vapors. Details

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Chemistry

Product Name: Ketone, 4-decyloxy-2-hydroxyphenyl 4-decyloxyphenyl (CAS NO.6285-34-3)

Molecular Formula: C₃₃H₅₀O₄
Molecular Weight: 510.83g/mol
Mol File: 6285-34-3.mol
Boiling point: 615.9 °C at 760 mmHg
Flash Point: 185.6 °C
Density: 0.999 g/cm³
Surface Tension: 38.2 dyne/cm
Enthalpy of Vaporization: 94.72 kJ/mol
Vapour Pressure: 9.16E-16 mmHg at 25°C
XLogP3-AA: 12.4
H-Bond Donor: 1
H-Bond Acceptor: 4
Structure Descriptors of Ketone, 4-decyloxy-2-hydroxyphenyl 4-decyloxyphenyl (CAS NO.6285-34-3):
IUPAC Name: (4-Decoxy-2-hydroxyphenyl)-(4-decoxyphenyl)methanone
Canonical SMILES: CCCCCCCCCCOC1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)OCCCCCCCCCC)O
InChI: InChI=1S/C33H50O4/c1-3-5-7-9-11-13-15-17-25-36-29-21-19-28(20-22-29)33(35)31-24-23-30(27-32(31)34)37-26-18-16-14-12-10-8-6-4-2/h19-24,27,34H,3-18,25-26H2,1-2H3
InChIKey: JQKWGPZNJCEJDY-UHFFFAOYSA-N

Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	100mg/kg (100mg/kg)		U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03310,

Safety Profile

A poison by intravenous route. A flammable liquid. When heated to decomposition it emits acrid smoke and irritating vapors.

Standards and Recommendations

DOT Classification: 3; Label: Flammable Liquid

Specification

Ketone, 4-decyloxy-2-hydroxyphenyl 4-decyloxyphenyl , its CAS NO. is 6285-34-3, the synonyms are NSC 5500 ; Methanone, (4-(decyloxy)-2-hydroxyphenyl)(4-(decyloxy)phenyl)- (9CI) .