Basic information
- CAS
5374-06-1- Standard SMILES
CC(C)(C)c1cc(C(C)(C)C)c(O)cc1O- InChIKey
KJFMXIXXYWHFAN-UHFFFAOYSA-N- Molecular formula
- C14H22O2
- Average molar mass
- 222.32 g/mol
- Monoisotopic mass
- 222.16197994
Names & identifiers
- Preferred name
- 4,6-Di-tert-butylresorcinol
- IUPAC
- 4,6-ditert-butylbenzene-1,3-diol
- English name
- 4,6-DI(TERT-BUTYL)BENZENE-1,3-DIOL
- Molecular formula
- C14H22O2
- Molecular weight
- 222.32
Names & synonyms
4,6-Di-tert-butylresorcinol5374-06-11,3-Benzenediol, 4,6-bis(1,1-dimethylethyl)-CCRIS 5829EINECS 226-366-34W0IAD4I0R4,6-Bis(1,1-dimethylethyl)-1,3-benzenediolDI-TERT-BUTYLRESORCINOL, 4,6-BRN 2049541DTXSID0063818RefChem:507917DTXCID9041499
Show more names
4,6-Di(tert-butyl)-1,3-benzenediol1,3-ditert-butyl-4,6-benzenediphenol1,3-DI-TERT-BUTYL-4,6-DIHYDROXYBENZENE4,6-Di-(tert-butyl)benzene-1,3-diol 95%4,6-bis(1,1-dimethylethyl)-3-benzenediol
226-366-34,6-di-tert-butylbenzene-1,3-diol4,6-Di(tert-butyl)benzene-1,3-diol4,6-ditert-butylbenzene-1,3-diol4,6-di-t-butylresorcinol4,6-Di-(tert-butyl)benzene-1,3-diolMFCD00044513UNII-4W0IAD4I0R
Database identifiers
- CAS
5374-06-1- PubChem CID
- 79337
- DTXSID
DTXSID0063818- ChEMBL
CHEMBL1795401- UNII
- 4W0IAD4I0R
- EC Number
- 226-366-3
- Nikkaji
- J28.687G
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 210
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 120 · 120-125 °C
- Boiling point
- 308.4 · 308.4±22.0 °C(Predicted)
- Density
- 1.012 · 1.012±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 11.06 · 11.06±0.23(Predicted)
- color
- White to Gray to Brown
- FDA UNII
- 4 W0IAD4I0R · 4W0IAD4I0R
- EPA Substance Registry System
- 1 · 1,3-Benzenediol, 4,6-bis(1,1-dimethylethyl)- (5374-06-1)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
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]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- CZ8800000
- hs_code
- 2909309090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26
- Hazard statements
- H315-H319-H413
- Precautionary statements
- P501-P273-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Benzenediol, 4,6-bis(1,1-dimethylethyl)-: ACTIVE
Suppliers48 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
Shanghai Safer Pharmaceutical Technology Co., Ltd.
Related reactions
1 records
Compound notes
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