1,2-Benzenedicarboxylic Acid 1-(7-Methyloctyl) Ester-d4

Base Information

• Chemical Name: 1,2-Benzenedicarboxylic Acid 1-(7-Methyloctyl) Ester-d4
• CAS No.: 1332965-96-4
• Molecular Formula: C17H24O4
• Molecular Weight: 296.39
• DSSTox Substance ID: DTXSID401173997
• Mol file: 1332965-96-4.mol

Synonyms:1332965-96-4;1,2-Benzenedicarboxylic Acid 1-(7-Methyloctyl) Ester-d4;7-Methyl-1-Octanol Phthalate-d4;2,3,4,5-tetradeuterio-6-(7-methyloctoxycarbonyl)benzoic acid;2-(((7-Methyloctyl)oxy)carbonyl)benzoic acid-d4;2-{[(7-methyloctyl)oxy]carbonyl}(?H?)benzoic acid;Monoisononyl phthalate-d4;RNCMBSSLYOAVRT-NWUDIVGLSA-N;DTXSID401173997;1ST15518D4;HY-141721S;CS-0202104;1-(7-Methyloctyl) hydrogen 1,2-benzene-3,4,5,6-d4-dicarboxylate

Chemical Property of 1,2-Benzenedicarboxylic Acid 1-(7-Methyloctyl) Ester-d4

Chemical Property:

• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Very Slightly)
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 296.19256623
• Heavy Atom Count: 21
• Complexity: 325

Purity/Quality:

NLT 98% ^*data from raw suppliers

1,2-BenzenedicarboxylicAcid1-(7-Methyloctyl)Ester-d4 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)CCCCCCOC(=O)C1=CC=CC=C1C(=O)O
• Isomeric SMILES: [2H]C1=C(C(=C(C(=C1[2H])C(=O)O)C(=O)OCCCCCCC(C)C)[2H])[2H]
• Uses: An isotope labelled derivative of 1,2-Benzenedicarboxylic Acid 1-(7-Methyloctyl) Ester (B185500). Phthalate ester.