HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

2,4-Di-tert-butyl-5-ethylphenol

HCID 87980
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
19245-41-1
Standard SMILES
CCc1cc(O)c(C(C)(C)C)cc1C(C)(C)C
InChIKey
OATMJDXPGMCSRS-UHFFFAOYSA-N
Molecular formula
C16H26O
Average molar mass
234.38 g/mol
Monoisotopic mass
234.19836545

Names & identifiers

Preferred name
2,4-Di-tert-butyl-5-ethylphenol
IUPAC
2,4-ditert-butyl-5-ethylphenol
English name
2,4-di-tert-butyl-5-ethylphenol
Molecular formula
C16H26O
Molecular weight
234.38

Names & synonyms

2,4-Di-tert-butyl-5-ethylphenol19245-41-12,4-ditert-butyl-5-ethylphenolPhenol, 2,4-bis(1,1-dimethylethyl)-5-ethyl-EINECS 242-911-8Z59Y6U2JXT2,4-Di-tert-butyl-5-ethyl phenolDTXSID80664702,4-BIS(1,1-DIMETHYLETHYL)-5-ETHYLPHENOLRefChem:443141DTXCID6036041242-911-8
Show more names
UNII-Z59Y6U2JXTSCHEMBL2788258SCHEMBL298086692,4-Di-tert-butyl-5-ethyl-phenolNS00026276Q65653278

Database identifiers

CAS
19245-41-1
PubChem CID
87980
DTXSID
DTXSID8066470
UNII
Z59Y6U2JXT
EC Number
242-911-8
Nikkaji
J242.750H

Properties

Computed structural properties

XLogP
5.7
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
3
Heavy atoms
17
Formal charge
0
Complexity
243

Experimental & physicochemical properties

SpringerMaterials PropertiesBoiling point
Endocrine DisruptorsPotential endocrine disrupting compound

Physicochemical properties

FDA UNII
59 Y6U2JXT · Z59Y6U2JXT
EPA Substance Registry System
2 · Phenol, 2,4-bis(1,1-dimethylethyl)-5-ethyl- (19245-41-1)
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

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationPhenol, 2,4-bis(1,1-dimethylethyl)-5-ethyl-: ACTIVE

Suppliers2 total

海蔚化学86-21-51086038 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes