Basic information
- CAS
1053656-85-1- Standard SMILES
CC(C)CCCCCCCOC(=O)CCCC(=O)OCCCCCCCC(C)C- InChIKey
NKTBVFBHWIMHRL-UHFFFAOYSA-N- Molecular formula
- C25H48O4
- Average molar mass
- 412.6 g/mol
- Monoisotopic mass
- 412.35526001
Names & identifiers
- Preferred name
- Pentanedioic acid, 1,5-diisodecyl ester
- IUPAC
- bis(8-methylnonyl) pentanedioate
- English name
- DIISODECYL GLUTARATE
- Molecular formula
- C25H48O4
- Molecular weight
- 412.65
Names & synonyms
Diisodecyl glutaratePentanedioic acid, diisodecyl esterEINECS 249-818-1Pentanedioic acid, 1,5-diisodecyl esterDTXSID0067503RefChem:171430DTXCID4038055249-818-129733-18-4bis(8-methylnonyl) pentanedioateSCHEMBL916271NKTBVFBHWIMHRL-UHFFFAOYSA-N
Show more names
DIISODECYL GLUTARATE, TECH.GLUTARICACID,DIISODECYLESTERpentanedioicacid,diisodecylesterPentanedioic acid bis(8-methylnonyl) ester
BIS(8-METHYLNONYL) GLUTARATEAKOS015916178DB-254473NS00028762
Database identifiers
- CAS
1053656-85-1、29733-18-4- PubChem CID
- 62848
- DTXSID
DTXSID0067503- EC Number
- 249-818-1
- Nikkaji
- J286.951I
Properties
Computed structural properties
- XLogP
- 8.7
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 22
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 354
Physicochemical properties
- Boiling point
- 260 °C · >260 °C(lit.)
- Density
- 0.92 g/mL · 0.92 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.449(lit.)
- Flash point
- 113 °C · 113 °C
- LogP
- 9.43 · 9.430 (est)
- EPA Substance Registry System
- Diisodecyl glutarate (29733-18-4)
- 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 InformationPentanedioic acid, 1,5-diisodecyl ester: ACTIVE
Suppliers5 total
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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