Basic information
- CAS
3294-03-9- Standard SMILES
CC(C)(C)CC(C)(C)c1ccc(O)c(Sc2cc(C(C)(C)CC(C)(C)C)ccc2O)c1- InChIKey
WQYFETFRIRDUPJ-UHFFFAOYSA-N- Molecular formula
- C28H42O2S
- Average molar mass
- 442.7 g/mol
- Monoisotopic mass
- 442.29055175
Names & identifiers
- Preferred name
- 2,2'-Thiobis(4-(1,1,3,3-tetramethylbutyl)phenol)
- IUPAC
- 2-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfanyl-4-(2,4,4-trimethylpentan-2-yl)phenol
- English name
- 2,2'-Thiodi(4-tert-octylphenol)
- Molecular formula
- C28H42O2S
- Molecular weight
- 442.7
Names & synonyms
3294-03-92,2'-Thiobis(4-tert-octylphenol)2,2'-Thiodi(4-tert-octylphenol)Phenol, 2,2'-thiobis[4-(1,1,3,3-tetramethylbutyl)-A929W4K3AR2,2'-Thiobis(4-(1,1,3,3-tetramethylbutyl)phenol)2,2'-Thiobis[4-(1,1,3,3-tetramethylbutyl)phenol]Phenol, 2,2'-thiobis(4-(1,1,3,3-tetramethylbutyl)-DTXSID1062962EINECS 221-959-32-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfanyl-4-(2,4,4-trimethylpentan-2-yl)phenol2,2'-THIOBIS(P-TERT-OCTYLPHENOL)
Show more names
HOPSThiobisoctylphenol2,2''-THIOBIS(4-OCTYLPHENOL)2,2'-Thiobis(4-tert-octylphenol2,2zzhlxy-THIODI(4-TERT-OCTYLPHENOL)2,2-THIOBIS(4-TERT-OCTYLPHENOL), 97+%BIS(2-HYDROXY-5-TERT-OCTYLPHENYL) SULFIDE
2-(2-HYDROXY-5-(2,4,4-TRIMETHYLPENTAN-2-YL)PHENYL)SULFANYL-4-(2,4,4-TRIMETHYLPENTAN-2-YL)PHENOLRefChem:440352DTXCID2038609221-959-32,2-Thiodi(4-tert-octylphenol)MFCD001905772,2'-thiobis(4-(2,4,4-trimethylpentan-2-yl)phenol)2,2'-sulfanediylbis[4-(2,4,4-trimethylpentan-2-yl)phenol]
Properties
Computed structural properties
- XLogP
- 10.1
- Topological polar surface area
- 65.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 519
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 133 · 133-135°C
- Boiling point
- 524.8 · 524.8±50.0 °C(Predicted)
- Density
- 1.05 · 1.05±0.1 g/cm3(Predicted)
- pka
- 8.86 · 8.86±0.50(Predicted)
- form
- powder to crystal
- color
- White to Almost white
- Henry's Law Constant
- 4.5 · 4.5×105 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- CAS DataBase Reference
- 3294 · 3294-03-9(CAS DataBase Reference)
- FDA 21 CFR
- 182.2 · 182.20; 582.20
- FDA UNII
- 1 G73H6H83 · 01G73H6H83
- NIST Chemistry Reference
- 2 · 2,2'-Thiobis[4-(1,1,3,3-tetramethylbutyl)phenol](3294-03-9)
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: Phenol, 2,2'-thiobis[4-(1,1,3,3-tetramethylbutyl)-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2930.90.2900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhenol, 2,2'-thiobis[4-(1,1,3,3-tetramethylbutyl)-: INACTIVE
Applications
OccurrenceThe hop plant is a perennial that is cultivated throughout the world.
UsesHops traditionally have been used as an analgesic, an anthelmintic, a sedative/ hypnotic to treat insomnia, and for attention defi cit–hyperactivity disorder. It is also used to treat menopausal symptoms and to wean patients off conventional sedative prescriptions.
Suppliers46 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海莉凯化工技术有限公司16628776521 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
Related reactions
1 records
Compound notes
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