Basic information
- CAS
16669-42-4- Standard SMILES
CC(C)(c1c(Cl)c(Cl)c(O)c(Cl)c1Cl)c1c(Cl)c(Cl)c(O)c(Cl)c1Cl- InChIKey
OJTHLNYBRBMCBW-UHFFFAOYSA-N- Molecular formula
- C15H8Cl8O2
- Average molar mass
- 503.8 g/mol
- Monoisotopic mass
- 499.803251
Overview
4,4'-propane-2,2-diylbis(tetrachlorophenol) is a bisphenol.
Names & identifiers
- Preferred name
- Phenol, 4,4'-(1-methylethylidene)bis[2,3,5,6-tetrachloro-
- IUPAC
- 2,3,5,6-tetrachloro-4-[2-(2,3,5,6-tetrachloro-4-hydroxyphenyl)propan-2-yl]phenol
- English name
- Fatty acids, butter
- Molecular formula
- unspecified
- Molecular weight
- 0
Names & synonyms
Isopropylidene bis-tetrachlorophenolPhenol, 4,4'-(1-methylethylidene)bis[2,3,5,6-tetrachloro-DTXSID9066095Phenol, 4,4'-(1-methylethylidene)bis(2,3,5,6-tetrachloro-RefChem:861136DTXCID303534916669-42-42,3,5,6-tetrachloro-4-[2-(2,3,5,6-tetrachloro-4-hydroxyphenyl)propan-2-yl]phenol4,4'-propane-2,2-diylbis(tetrachlorophenol)FEW7W5YD6ESCHEMBL112121FEMA 2171
Show more names
Fatty acids, butterEnzymatic Hydrolysis of Cream
4,4'-(propane-2,2-diyl)bis(2,3,5,6-tetrachlorophenol)CHEBI:177522OJTHLNYBRBMCBW-UHFFFAOYSA-N4,4'-Isopropylidenebis[2,3,5,6-tetrachlorophenol]4,4'-(1-Methylethylidene)bis(2,3,5,6-tetrachloro-Phenol4,4'-(1-Methylethylidene)bis[2,3,5,6-tetrachlorophenol]2,3,5,6-Tetrakis(chloranyl)-4-(2-(2,3,5,6-tetrakis(chloranyl)-4-oxidanyl-phenyl)propan-2-yl)phenol
Database identifiers
- CAS
16669-42-4、85536-25-0- PubChem CID
Properties
Computed structural properties
- XLogP
- 9
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 408
Physicochemical properties
- FEMA
- 2171 · 2171 | BUTTER ACIDS
- Odor
- 100 % · at 100.00 %. butter oily fatty
- Odor Type
- oily
- Substances Added to Food (formerly EAFUS)
- BUTTER ACIDS
- EWG's Food Scores
- 1 · 1
- EPA Substance Registry System
- Fatty acids, butter (85536-25-0)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
- 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
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- Hazard statements
- H318-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
General Manufacturing InformationPhenol, 4,4'-(1-methylethylidene)bis[2,3,5,6-tetrachloro-: INACTIVE
Applications
UsesFatty acids, butter can be used in daily chemical fragrance formulations.
OccurrenceReported found in butter.
Preparation methods
PreparationIsolated from butter; mixtures of the acids from other sources.
Additional notes
DefinitionChEBI: 4,4'-propane-2,2-diylbis(tetrachlorophenol) is a bisphenol.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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