| CAS Number | 56166-83-7 |
| Catalog Number | AG003AP9(AGN-PC-0JTI4P) |
| Chemical Name | 1-(2-ethylhexyl) 2-methyl benzene-1,2-dicarboxylate |
| IUPAC Name | 2-O-(2-ethylhexyl) 1-O-methyl benzene-1,2-dicarboxylate |
| InChI | InChI=1S/C17H24O4/c1-4-6-9-13(5-2)12-21-17(19)15-11-8-7-10-14(15)16(18)20-3/h7-8,10-11,13H,4-6,9,12H2,1-3H3 |
| InChI Key | MQYNKBGLFNKJPL-UHFFFAOYSA-N |
| MDL Number | MFCD32206197 |
| Molecular Formula | C17H24O4 |
| Molecular Weight | 292.3701 |
| SMILES | C(C=1C(C(=O)OC)=CC=CC1)(=O)OCC(CCCC)CC |
| Synonyms | Methyl 2-ethylhexyl phthalate,
2-Ethylhexyl methyl phthalate,
1,2-Benzenedicarboxylic acid, 2-ethylhexyl methyl ester,
56166-83-7,
AC1LC84A,
SCHEMBL6404103,
MQYNKBGLFNKJPL-UHFFFAOYSA-N,
1-(2-Ethylhexyl) 2-methyl phthalate #,
Phthalic acid 1-(2-ethylhexyl)2-methyl ester,
2-O-(2-ethylhexyl) 1-O-methyl benzene-1,2-dicarboxylate,
1,2-BENZENEDICARBOXYLIC ACID 2-ETHYLHEXYLMETHYL ESTER,
CID596027,
C17-H24-O4,
|
| Complexity | 327 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 292.167g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 292.375g/mol |
| Monoisotopic Mass | 292.167g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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\N
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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\N
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Precautionary statements
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P261-P280-P301+P312-P302+P352-P305+P351+P338
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UN Code
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\N
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Certificate of Analysis
Lot Number