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Decyl Octyl Phthalate

CAT: 0572-TRC-D228460-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D228460-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
119-07-3
Synonyms
1,2-Benzenedicarboxylic acid, 1-decyl 2-octyl ester; 1,2-Benzenedicarboxylic acid, decyl octyl ester (9CI); Phthalic acid, decyl octyl ester (6CI,7CI,8CI); Decyl octyl phthalate; Dinopol 235; Octyl decyl phthalate; Polycizer 532; Polycizer 562; Staflex 500; n-Decyl n-octyl phthalate; n-Octyl n-decyl phthalate; Phthalic acid, octyldecyl ester
Hazard Statement
Causes skin irritation; UN number: UN3082; Packing Group: III
Smiles
CCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC
Molecular Formula
C26H42O4
Molecular Weight
418.61
InChI
InChI=1S/C26H42O4/c1-3-5-7-9-11-12-14-18-22-30-26(28)24-20-16-15-19-23(24)25(27)29-21-17-13-10-8-6-4-2/h15-16,19-20H,3-14,17-18,21-22H2,1-2H3
Additionnal Information
IUPAC name: 2-O-decyl 1-O-octyl benzene-1,2-dicarboxylate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Octyl decyl phthalate

Octyl decyl phthalate is a colorless liquid with a mild, characteristic odor. Less dense than water and insoluble in water. Hence floats on water. (USCG, 1999)

CAS Number119-07-3
PubChem CID8380
IUPAC Name2-O-decyl 1-O-octyl benzene-1,2-dicarboxylate
Molecular FormulaC26H42O4
Molecular Weight418.6
XLogP10.1
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count20
Heavy Atom Count30
Formal Charge0
Complexity435
SMILES
CCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC
InChI
InChI=1S/C26H42O4/c1-3-5-7-9-11-12-14-18-22-30-26(28)24-20-16-15-19-23(24)25(27)29-21-17-13-10-8-6-4-2/h15-16,19-20H,3-14,17-18,21-22H2,1-2H3
InChIKey
LVAGMBHLXLZJKZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Octyl decyl phthalate
CAS: 119-07-3
CID: 8380
Formula: C26H42O4
MW: 418.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight418.6
XLogP310.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count20
Exact Mass418.30830982
Monoisotopic Mass418.30830982
Topological Polar Surface Area52.6 Ų
Heavy Atom Count30
Formal Charge0
Complexity435
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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