Hexanedioic acid, mixed esters with 2-butoxyethanol, 2-ethylhexanol, glutaric acid, methanol and succinic acid
Basic information
- CAS
68954-46-1- Standard SMILES
CCCCC(CC)CO.CCCCOCCO.CO.O=C(O)CCC(=O)O.O=C(O)CCCC(=O)O.O=C(O)CCCCC(=O)O- InChIKey
ASXFHLSYOJADMB-UHFFFAOYSA-N- Molecular formula
- C30H60O16
- Average molar mass
- 676.8 g/mol
- Monoisotopic mass
- 676.38813582
Names & identifiers
- Preferred name
- Hexanedioic acid, mixed esters with 2-butoxyethanol, 2-ethylhexanol, glutaric acid, methanol and succinic acid
- IUPAC
- butanedioic acid;2-butoxyethanol;2-ethylhexan-1-ol;hexanedioic acid;methanol;pentanedioic acid
Names & synonyms
RefChem:146152DTXSID60894568
Database identifiers
- CAS
68954-46-1- PubChem CID
- 111468
Properties
Computed structural properties
- Topological polar surface area
- 294 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 22
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 402
Experimental & physicochemical properties
UVCBUVCB -> EPA TSCA
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationHexanedioic acid, mixed esters with 2-butoxyethanol, 2-ethylhexanol, glutaric acid, methanol and succinic acid: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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