Basic information
- CAS
110-28-1- Standard SMILES
CC(C)CCCCCCCOC(=O)CCCCC(=O)OCCCCCC(C)C- InChIKey
IHXYISPZQCLSIX-UHFFFAOYSA-N- Molecular formula
- C24H46O4
- Average molar mass
- 398.6 g/mol
- Monoisotopic mass
- 398.33960994
Names & identifiers
- Preferred name
- Hexanedioic acid, 1-isodecyl 6-isooctyl ester
- IUPAC
- 6-O-(6-methylheptyl) 1-O-(8-methylnonyl) hexanedioate
- English name
- 6-methylheptyl 8-methylnonyl adipate
- Molecular formula
- C24H46O4
- Molecular weight
- 398.61964
Names & synonyms
Isodecyl isooctyl adipate31474-57-4Hexanedioic acid, isodecyl isooctyl esterEINECS 250-649-0DTXSID6067626Hexanedioic acid, 1-isodecyl 6-isooctyl esterRefChem:786399DTXCID1038373250-649-0ISOOCTYL ISODECYL ADIPATE110-28-16-Methylheptyl 8-methylnonyl adipate
Show more names
Hexanedioic acid 1-(6-methylheptyl)6-(8-methylnonyl) ester
6-O-(6-methylheptyl) 1-O-(8-methylnonyl) hexanedioateEINECS 203-753-5i-octyl i-decyl adipateSCHEMBL4444322IHXYISPZQCLSIX-UHFFFAOYSA-NAdipic acid, isodecyl isooctyl ester6-methylheptyl 8-methylnonyl hexanedioateNS00029107
Database identifiers
- CAS
110-28-1、31474-57-4、68130-92-7- PubChem CID
- 35804
- DTXSID
DTXSID6067626- EC Number
- 203-753-5、250-649-0
- Nikkaji
- J193.581J
Properties
Computed structural properties
- XLogP
- 7.9
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 21
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 377
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, isodecyl isooctyl 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.
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationHexanedioic acid, 1-isodecyl 6-isooctyl ester: ACTIVE
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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