3,6,9,12,15,18,21,24,27-Nonaoxanonacosan-1-ol, 29-[2,4-bis(1,1-dimethylethyl)phenoxy]-
Basic information
- CAS
68214-69-7- Standard SMILES
CC(C)(C)c1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)c(C(C)(C)C)c1- InChIKey
TZOZGEFFYPNSAA-UHFFFAOYSA-N- Molecular formula
- C34H62O11
- Average molar mass
- 646.8 g/mol
- Monoisotopic mass
- 646.42921279
Names & identifiers
- Preferred name
- 3,6,9,12,15,18,21,24,27-Nonaoxanonacosan-1-ol, 29-[2,4-bis(1,1-dimethylethyl)phenoxy]-
- IUPAC
- 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2,4-ditert-butylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
- English name
- 29-[2,4-Bis(1,1-dimethylethyl)phenoxy]-3,6,9,12,15,18,21,24,27-nonaoxanonacosan-1-ol
- Molecular formula
- C34H62O11
- Molecular weight
- 646.85
Names & synonyms
3,6,9,12,15,18,21,24,27-Nonaoxanonacosan-1-ol, 29-(2,4-bis(1,1-dimethylethyl)phenoxy)-DTXSID40712633,6,9,12,15,18,21,24,27-Nonaoxanonacosan-1-ol, 29-[2,4-bis(1,1-dimethylethyl)phenoxy]-RefChem:487137DTXCID404571368214-69-729-(2,4-di-tert-butylphenoxy)-3,6,9,12,15,18,21,24,27-nonaoxanonacosan-1-ol6918-31-6SCHEMBL14097237TZOZGEFFYPNSAA-UHFFFAOYSA-N29-[2,4-Bis(1,1-dimethylethyl)phenoxy]-3,6,9,12,15,18,21,24,27-nonaoxanonacosan-1-ol
Database identifiers
- CAS
68214-69-7- PubChem CID
- 109786
- DTXSID
DTXSID4071263- Nikkaji
- J429.773C
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 32
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 639
Physicochemical properties
- EPA Substance Registry System
- 3 · 3,6,9,12,15,18,21,24,27-Nonaoxanonacosan-1-ol, 29-[2,4-bis(1,1-dimethylethyl)phenoxy]- (68214-69-7)
- 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 Information3,6,9,12,15,18,21,24,27-Nonaoxanonacosan-1-ol, 29-[2,4-bis(1,1-dimethylethyl)phenoxy]-: INACTIVE
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Related reactions
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Compound notes
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