Diisodecyl 4-cyclohexene-1,2-dicarboxylate
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Basic information
- CAS
87826-26-4- Standard SMILES
CC(C)CCCCCCCOC(=O)C1CC=CCC1C(=O)OCCCCCCCC(C)C- InChIKey
XRFYGUOAWVKOCQ-UHFFFAOYSA-N- Molecular formula
- C28H50O4
- Average molar mass
- 450.7 g/mol
- Monoisotopic mass
- 450.37091007
Names & identifiers
- Preferred name
- Diisodecyl 4-cyclohexene-1,2-dicarboxylate
- IUPAC
- bis(8-methylnonyl) cyclohex-4-ene-1,2-dicarboxylate
- English name
- 1,2,3,6-TETRAHYDROPHTHALIC ACID DIISODECYL ESTER
- Molecular formula
- C28H50O4
- Molecular weight
- 450.69
Names & synonyms
Diisodecyl 4-cyclohexene-1,2-dicarboxylateDTXSID30343174RefChem:1083646DTXCID9029425487826-26-4bis(8-methylnonyl) cyclohex-4-ene-1,2-dicarboxylateMFCD000706151,2,3,6-Tetrahydrophthalic Acid Diisodecyl EsterDiisodecyl tetrahydrophthalateSCHEMBL5514876NIOSH/GW5180000XRFYGUOAWVKOCQ-UHFFFAOYSA-N
Show more names
DIISODECYL 1,2,3,6-TETRAHYDROPHTHALATEDIISODECYL CYCLOHEXENE-4,5-DICARBOXYLATEDiisodecyl4-Cyclohexene-1,2-dicarboxylate>1,2,3,6-TETRAHYDROPHTHALIC ACID DIISODECYL ESTER4-CYCLOHEXENE-1,2-DICARBOXYLIC ACID DIISODECYL ESTERCyclohexene-4,5-dicarboxylic acid di(8-methylnonyl) ester4-Cyclohexene-1,2-dicarboxylic acid di(8-methylnonyl) ester4-Cyclohexene-1,2-dicarboxylic Acid Diisodecyl Ester Diisodecyl 1,2,3,6-Tetrahydrophthalate 1,2,3,6-Tetrahydrophthalic Acid Diisodecyl Ester
C28H50O4AKOS025295864SY054620GW51800000bis(8-methylnonyl)cyclohex-4-ene-1,2-dicarboxylate4-Cyclohexene-1,2-dicarboxylic acid, diisodecyl esterBis(8-methylnonyl) 4-cyclohexene-1,2-dicarboxylate #Diisodecyl 4-Cyclohexene-1,2-dicarboxylate, inverted exclamation markO97%
Database identifiers
- CAS
87826-26-4- PubChem CID
- 587973
- DTXSID
DTXSID30343174- Nikkaji
- J208.980G
Properties
Computed structural propertiesFilling in
- XLogP
- 9.5
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 20
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 478
Physicochemical properties
- Density
- 0.95 · 0.95
- refractive index
- 1.466 to · 1.4660 to 1.4700
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
- form
- clear liquid
- color
- Colorless to Almost colorless
- CAS DataBase Reference
- 87826 · 87826-26-4
- HS Code
- 2917.19 · 2917.19.2000
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
- hs_code
- 2917.19.2000
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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