Octanedioic acid, 1,8-bis(phenylmethyl) ester
Basic information
- CAS
42413-23-0- Standard SMILES
O=C(CCCCCCC(=O)OCc1ccccc1)OCc1ccccc1- InChIKey
KWYCNDSIQMBOIS-UHFFFAOYSA-N- Molecular formula
- C22H26O4
- Average molar mass
- 354.4 g/mol
- Monoisotopic mass
- 354.18310931
Names & identifiers
- Preferred name
- Octanedioic acid, 1,8-bis(phenylmethyl) ester
- IUPAC
- dibenzyl octanedioate
- English name
- dibenzyl suberate
- Molecular formula
- C22H26O4
- Molecular weight
- 354.45
Names & synonyms
Octanedioic acid, 1,8-bis(phenylmethyl) esterEINECS 255-811-4RefChem:855953Dibenzyl suberate42413-23-0Octanedioic acid, bis(phenylmethyl) esterdibenzyl octanedioateoctanedioic acid dibenzyl esterDTXSID7068392SCHEMBL10621313KWYCNDSIQMBOIS-UHFFFAOYSA-N7B57ZQ5A75
Show more names
Suberic acid dibenzyl esterOctanedioic acid bis(phenylmethyl) ester
1,8-Bis(phenylmethyl) octanedioateNS00031176
Database identifiers
- CAS
42413-23-0- PubChem CID
- 170648
- DTXSID
DTXSID7068392- UNII
- 7B57ZQ5A75
- EC Number
- 255-811-4
- Nikkaji
- J309.917B
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 13
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 357
Experimental & physicochemical properties
SpringerMaterials PropertiesViscosity
Physicochemical properties
- EPA Substance Registry System
- Octanedioic acid, bis(phenylmethyl) ester (42413-23-0)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationOctanedioic acid, 1,8-bis(phenylmethyl) ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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