Basic information
- CAS
2213-66-3- Standard SMILES
Cc1cc(C(C)(C)C)cc(O)c1O- InChIKey
PMRGVXIRSTVLJS-UHFFFAOYSA-N- Molecular formula
- C11H16O2
- Average molar mass
- 180.24 g/mol
- Monoisotopic mass
- 180.11502975
Names & identifiers
- Preferred name
- 5-tert-Butyl-3-methylpyrocatechol
- IUPAC
- 5-tert-butyl-3-methylbenzene-1,2-diol
- English name
- 5-tert-butyl-3-methylpyrocatechol
- Molecular formula
- C11H16O2
- Molecular weight
- 180.24
Names & synonyms
5-tert-Butyl-3-methylpyrocatecholEINECS 218-668-9DTXSID20176655NSC 116690RefChem:537874DTXCID6099146218-668-92213-66-35-tert-butyl-3-methylbenzene-1,2-diol5-(tert-Butyl)-3-methylbenzene-1,2-diol5-tert-butyl-3-methylcatecholMFCD00020016
Show more names
3-Methyl-5-tert-butylcatechol5-tert-Butyl-3-methyl-1,2-benzenediol3-Methyl-5-tert-butyl-1,2-dihydroxybenzene1,2-Benzenediol, 5-(1,1-dimethylethyl)-3-methyl-
NSC-116690NSC1166906-Methyl-4-tert-butyl-1,2-benzenediol5-tert-Butyl-3-methyl-benzene-1,2-diolT7G7LZ2TKM5-t-butyl-3-methyl catecholSCHEMBL9317565-(tert-butyl)-3-methylcatechol
Database identifiers
- CAS
2213-66-3- PubChem CID
- 75173
- DTXSID
DTXSID20176655- UNII
- T7G7LZ2TKM
- EC Number
- 218-668-9
- Nikkaji
- J299.167E
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 171
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 116 · 116-117℃
- Boiling point
- 294.3 · 294.3±35.0 °C(Predicted)
- Density
- 1.064 · 1.064
- storage temp.
- 2 · 2-8°C
- pka
- 10.03 · 10.03±0.15(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H302-H315-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
H302 (92.9%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (92.9%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H302-H315-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers26 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
嘉兴诺华化工有限公司18957373295
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
郑州阿尔法化工有限公司0371-53765687 18937137882 · [email protected]
安阳鸿蒙新材料有限公司0372-19588588067 19588588067 · [email protected]
北京华威锐科化工科技有限公司89508211 18501085097 · [email protected]
上海韶屹生物科技有限公司21-21-31590156 13042155638 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
南京克罗托鲁宁医药科技有限公司13382066392
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
ANHUI WITOP BIOTECH CO., LTD+8618071025641 · [email protected]
河南奥创化工有限公司+86-0371-63689365 +8618638391208 · [email protected]
Wuxi Rejoys chemical Technology Co., Ltd.0510-86103381 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
4 records
Compound notes
Loading…