Basic information
- CAS
63905-29-3- Standard SMILES
O=C(CCCCC(=O)OCC1CC=CCC1)OCC1CC=CCC1- InChIKey
PJRVYFKLOAROIV-UHFFFAOYSA-N- Molecular formula
- C20H30O4
- Average molar mass
- 334.4 g/mol
- Monoisotopic mass
- 334.21440943
Names & identifiers
- Preferred name
- Bis(cyclohex-3-en-1-ylmethyl) hexanedioate
- IUPAC
- bis(cyclohex-3-en-1-ylmethyl) hexanedioate
- English name
- bis(cyclohex-3-enylmethyl) adipate
- Molecular formula
- C20H30O4
- Molecular weight
- 334.45
Names & synonyms
63905-29-3bis(cyclohex-3-en-1-ylmethyl) hexanedioateBis(3-cyclohexenylmethyl) adipateJTT32FQ8ZMEINECS 264-555-2Adipic acid, 3-cyclohexenylmethanol diesterADIPIC ACID, BIS(3-CYCLOHEXENYLMETHYL) ESTERHexanedioic acid, bis(3-cyclohexen-1-ylmethyl) esterHexanedioic acid, 1,6-bis(3-cyclohexen-1-ylmethyl) esterDTXSID6052322RefChem:569018DTXCID3030894
Show more names
BIS(3-CYCLOHEXEN-1-YLMETYL)ADIPATEAdipic acid bis(3-cyclohexenylmethyl) ester
Bis(cyclohex-3-enylmethyl) adipateUNII-JTT32FQ8ZMSCHEMBL8634714PJRVYFKLOAROIV-UHFFFAOYSA-NDB-220223NS00035603Bis[(cyclohex-3-en-1-yl)methyl] hexanedioate
Database identifiers
- CAS
63905-29-3- PubChem CID
- 45071
- DTXSID
DTXSID6052322- UNII
- JTT32FQ8ZM
- EC Number
- 264-555-2
- Nikkaji
- J86.657A
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 411
Physicochemical properties
- Boiling point
- 431.24 °C · 431.24°C (rough estimate)
- Density
- 1.0561 · 1.0561 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- FDA UNII
- 32 FQ8ZM · JTT32FQ8ZM
- EPA Substance Registry System
- Bis(3-cyclohexenylmethyl) adipate (63905-29-3)
- 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.
Hazard information
Regulatory InformationHexanedioic acid, bis(3-cyclohexen-1-ylmethyl) ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationHexanedioic acid, 1,6-bis(3-cyclohexen-1-ylmethyl) ester: ACTIVE
Suppliers4 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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