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Mono-carboxy-isooctyl Phthalate , CAS No.898544-09-7
Basic Description
Synonyms | Mono-carboxy-isooctyl Phthalate|Mono-carboxy-isooctylPhthalate|Mono-carboxy isooctyl phthalate|898544-09-7|2-(8-carboxyoctan-2-yloxycarbonyl)benzoic acid|CHEBI:165210|DTXSID101028113|2-(((1-Methyl-8-carboxyheptyl)oxy)carbonyl)-benzoic Acid |
Storage Temp | Store at 2-8°C |
Shipped In | Wet ice |
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Names and Identifiers
IUPAC Name | 2-(8-carboxyoctan-2-yloxycarbonyl)benzoic acid |
INCHI | InChI=1S/C17H22O6/c1-12(8-4-2-3-5-11-15(18)19)23-17(22)14-10-7-6-9-13(14)16(20)21/h6-7,9-10,12H,2-5,8,11H2,1H3,(H,18,19)(H,20,21) |
InChi Key | RCOGHDLTLRKQOP-UHFFFAOYSA-N |
Canonical SMILES | CC(CCCCCCC(=O)O)OC(=O)C1=CC=CC=C1C(=O)O |
Isomeric SMILES | CC(CCCCCCC(=O)O)OC(=O)C1=CC=CC=C1C(=O)O |
PubChem CID | 145459125 |
Molecular Weight | 322.35 |
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Chemical and Physical Properties
Solubility | Soluble in DMSO (10 mg/mL), DMF (10 mg/mL), dichloromethane (5 mg/mL), and ethyl acetate (5 mg/mL). |
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