Hexanedioic acid, 1,6-bis((4-methyl-7-oxabicyclo(4.1.0)hept-3-yl)methyl) ester
Basic information
- CAS
1985-84-8- Standard SMILES
CC1CC2OC2CC1COC(=O)CCCCC(=O)OCC1CC2OC2CC1C- InChIKey
LMMDJMWIHPEQSJ-UHFFFAOYSA-N- Molecular formula
- C22H34O6
- Average molar mass
- 394.5 g/mol
- Monoisotopic mass
- 394.2355388
Names & identifiers
- Preferred name
- Hexanedioic acid, 1,6-bis((4-methyl-7-oxabicyclo(4.1.0)hept-3-yl)methyl) ester
- IUPAC
- bis[(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] hexanedioate
- English name
- bis[(3,4-epoxy-6-methylcyclohexyl)methyl] adipate
- Molecular formula
- C22H34O6
- Molecular weight
- 394.5
Names & synonyms
EP-289EINECS 217-857-3Di(3,4-epoxy-6-methylcyclohexylmethyl)adipateBis(3,4-epoxy-6-methylcyclohexylmethyl)adipateHexanedioic acid, bis(4-methyl-7-oxabicyclo(4.1.0)hept-3-yl)methyl esterDTXSID60883710Hexanedioic acid, bis((4-methyl-7-oxabicyclo(4.1.0)hept-3-yl)methyl) esterADIPIC ACID, BIS(3,4-EPOXY-6-METHYLCYCLOHEXYLMETHYL) ESTERHexanedioic acid, 1,6-bis((4-methyl-7-oxabicyclo(4.1.0)hept-3-yl)methyl) esterHexanedioic acid, bis[(4-methyl-7-oxabicyclo[4.1.0]hept-3-yl)methyl] esterHexanedioic acid, 1,6-bis[(4-methyl-7-oxabicyclo[4.1.0]hept-3-yl)methyl] esterRefChem:786366
Show more names
Mark-135BAdipic acid bis(3,4-epoxy-6-methylcyclohexan-1-ylmethyl) esterbis[(3-methyl-7-oxabicyclo[4.1.0]heptan-4-yl)methyl] hexanedioateAdipic acid bis[(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] ester
DTXCID5010232081985-84-8bis[(3,4-Epoxy-6-methylcyclohexyl)methyl] adipatebis[(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] hexanedioateBis((3,4-epoxy-6-methylcyclohexyl)methyl) adipateSCHEMBL76024LMMDJMWIHPEQSJ-UHFFFAOYSA-NNS00045435
Database identifiers
- CAS
1985-84-8- PubChem CID
- 16138
- DTXSID
DTXSID60883710- EC Number
- 217-857-3
- Nikkaji
- J55.148A
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 77.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 527
Physicochemical properties
- Boiling point
- 478.7 °C · 478.7°C (rough estimate)
- Density
- 1.0936 · 1.0936 (rough estimate)
- refractive index
- 1.52 · 1.5200 (estimate)
- EPA Substance Registry System
- Hexanedioic acid, bis[(4-methyl-7-oxabicyclo[4.1.0]hept-3-yl)methyl] ester (1985-84-8)
- 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 InformationHexanedioic acid, 1,6-bis[(4-methyl-7-oxabicyclo[4.1.0]hept-3-yl)methyl] ester: INACTIVE
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Compound notes
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