3,5-Di-tert-butylphenol

3,5-Di-tert-butylphenol
Compound Structure:
Synonyms: 3,5-Di-tert-butylphenol;1138-52-9;3,5-ditert-butylphenol;3,5-Di-t-butylphenol;Phenol, 3,5-bis(1,1-dimethylethyl)-;Phenol, 3,5-di-tert-butyl-;C14H22O;F4SMH8G9W7;CHEMBL321841
Compound ID: NMPC-315
PubChem ID:

70825
Molecular Formula: C14H22O
Canonical SMILES: CC(C)(C)C1=CC(=CC(=C1)O)C(C)(C)C
InChIKey: ZDWSNKPLZUXBPE-UHFFFAOYSA-N
About the compound:

GHS Hazard Statements

• H314 (95%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

206.32 g/mol

XLogP3-AA

4.9

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

2

Exact Mass

206.167065321 g/mol

Monoisotopic Mass

206.167065321 g/mol

Topological Polar Surface Area

20.2Ų

Heavy Atom Count

15

Formal Charge

0

Complexity

184

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Physical Description

Solid; [Matrix Scientific MSDS]

Source: PubChem
Source Species: Colocasia esculenta
Urena lobata
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