4,6-Dinonyl-o-cresol
Basic information
- CAS
3011-61-8- Standard SMILES
CCCCCCCCCc1cc(C)c(O)c(CCCCCCCCC)c1- InChIKey
SGHSRBYSXCNJLP-UHFFFAOYSA-N- Molecular formula
- C25H44O
- Average molar mass
- 360.6 g/mol
- Monoisotopic mass
- 360.33921602
Names & identifiers
- Preferred name
- 4,6-Dinonyl-o-cresol
- IUPAC
- 2-methyl-4,6-di(nonyl)phenol
- English name
- 4,6-dinonyl-o-cresol
- Molecular formula
- C25H44O
- Molecular weight
- 360.62
Names & synonyms
4,6-Dinonyl-o-cresol2-methyl-4,6-dinonylphenolPhenol, 2-methyl-4,6-dinonyl-UNII-O65SU1E2UWo-Cresol, 4,6-dinonyl-EINECS 221-142-1O65SU1E2UWDTXSID80627854,6-DINONYL-2-METHYLPHENOLRefChem:96676DTXCID8038140221-142-1
Show more names
3011-61-8Santowhite 54SCHEMBL225637SGHSRBYSXCNJLP-UHFFFAOYSA-NDB-288457NS00028861Q27285392
Database identifiers
- CAS
3011-61-8- PubChem CID
- 76383
- DTXSID
DTXSID8062785- UNII
- O65SU1E2UW
- EC Number
- 221-142-1
- Nikkaji
- J205.312H
Properties
Computed structural properties
- XLogP
- 11.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 16
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 301
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physicochemical properties
- Boiling point
- 200 · 200-220 °C(Press: 10 Torr)
- Density
- 0.899 · 0.899±0.06 g/cm3(Predicted)
- pka
- 10.82 · 10.82±0.50(Predicted)
- Indirect Additives used in Food Contact Substances
- 4 · 4,6-DINONYL-O-CRESOL
- FDA 21 CFR
- 175.105 · 175.105; 177.2600
- FDA UNII
- 65 SU1E2UW · O65SU1E2UW
- EPA Substance Registry System
- 4 · 4,6-Dinonyl-o-cresol (3011-61-8)
- 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.
GHS classification
GHS Classification
Danger
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P203, P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P318, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Hazard information
Regulatory InformationChemical: Phenol, 2-methyl-4,6-dinonyl-
Other Safety InformationIMAP assessments - Nonylphenols: Human health tier II assessment
Hazard Classes and CategoriesAcute toxicity (ingestion) - category 4
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhenol, 2-methyl-4,6-dinonyl-: INACTIVE
Suppliers
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Compound notes
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