Basic information
- Standard SMILES
CC(C)(C)CC(C)(C)c1ccc(OCCOCCOCCOCCOCCOCCOCCO)cc1- InChIKey
HNLXNOZHXNSSPN-UHFFFAOYSA-N- Molecular formula
- C28H50O8
- Average molar mass
- 514.7 g/mol
- Monoisotopic mass
- 514.35056856
Overview
See also: Polyethylene glycol mono(4-tert-octylphenyl) ether (annotation moved to).
Names & identifiers
- Preferred name
- 20-(4-(1,1,3,3-Tetramethylbutyl)phenoxy)-3,6,9,12,15,18-hexaoxaicosan-1-ol
- IUPAC
- 2-[2-[2-[2-[2-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
- English name
- NONIDET P40 SUBSTITUTE
- Molecular formula
- C28H50O8
- Molecular weight
- 514.6918
Names & synonyms
20-(4-(1,1,3,3-Tetramethylbutyl)phenoxy)-3,6,9,12,15,18-hexaoxaicosan-1-olEINECS 219-682-820-[4-(1,1,3,3-Tetramethylbutyl)phenoxy]-3,6,9,12,15,18-hexaoxaicosan-1-olRefChem:483879219-682-82497-59-8Triton X-100.7Triton(TM) X-1142-[2-[2-[2-[2-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol20-(4-(2,4,4-Trimethylpentan-2-yl)phenoxy)-3,6,9,12,15,18-hexaoxaicosan-1-ol20-[4-(2,4,4-TRIMETHYLPENTAN-2-YL)PHENOXY]-3,6,9,12,15,18-HEXAOXAICOSAN-1-OLTriton(TM) X-100, BioXtra
Show more names
Anapoe-NID-P4020-(4-tert-Octylphenoxy)-3,6,9,12,15,18-hexaoxaicosane-1-ol
3,6,9,12,15,18-Hexaoxaeicosan-1-ol, 20-[4-(1,1,3,3-tetramethylbutyl)phenoxy]-Tergitol NO 73,6,9,12,15,18-HEXAOXAEICOSAN-1-OL, 20-(4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY)-Triton(TM) X-45Triton(TM) X-100IGEPAL(R) CA-630Triton(TM) X-100, CPDGW88559XL
Database identifiers
- CAS
2497-59-8- PubChem CID
- 75622
- DTXSID
DTXSID60179685- UNII
- DGW88559XL
- EC Number
- 219-682-8
- Nikkaji
- J191.988A
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 84.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 24
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 486
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 578 · 578.0±50.0 °C(Predicted)
- Density
- 1.036 · 1.036±0.06 g/cm3(Predicted)
- pka
- 14.36 · 14.36±0.10(Predicted)
- Substances of Very High Concern (SVHC) Candidate List
- 20 · 20-[4-(1,1,3,3-tetramethylbutyl)phenoxy]-3,6,9,12,15,18-hexaoxaicosan-1-ol (2497-59-8)
Safety & regulation
Hazard information
Regulatory Information
Hazard Traits - Endocrine Toxicity
Substance: 20-[4-(1,1,3,3-tetramethylbutyl)phenoxy]-3,6,9,12,15,18-hexaoxaicosan-1-ol
Chemistry & industry
Suppliers3 total
上海西陇生化科技有限公司021-52907766-8042
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]
Related reactions
0 records
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Linked notes
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