chempirical

Butylated hydroxyanisole

C11H16O2CAS 121-00-6180.25 g/mol

Open in Covalent MOL file
OOH
EtherPhenol

Properties

Molecular formula
C11H16O2
Molar mass
180.25 g/mol
Exact mass
180.1150 Da
Density
1.0587 g/mL (at 20 °C)
Melting point
62–63 °C
Boiling point
134–137 °C (at 7 Torr)
logP
2.70Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
121-00-6
SMILES
COc1ccc(O)c(C(C)(C)C)c1
InChIKey
MRBKEAMVRSLQPH-UHFFFAOYSA-N
InChI
InChI=1S/C11H16O2/c1-11(2,3)9-7-8(13-4)5-6-10(9)12/h5-7,12H,1-4H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

14 names · show all
  • 3-tert-Butyl-4-hydroxyanisole
  • Phenol, 2-(1,1-dimethylethyl)-4-methoxy-
  • Phenol, 2-tert-butyl-4-methoxy-
  • 2-(1,1-Dimethylethyl)-4-methoxyphenol
  • 3-BHA
  • 4-Methoxy-2-tert-butylphenol
  • 2-tert-Butyl-4-methoxyphenol
  • 4-Methoxy-6-tert-butylphenol
  • o-tert-Butyl-p-methoxyphenol
  • tert-Butyl-2-methoxy-4-phenol
  • 3-tert-Butyl-p-hydroxyanisole
  • 3-(1,1-Dimethylethyl)-4-hydroxyanisole
  • 4-Hydroxy-3-tert-butylanisole
  • 2-tert-Butyl-p-methoxyphenol

Work with Butylated hydroxyanisole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Butylated hydroxyanisole25013-16-5

Similar compounds

2,6-Di-tert-butyl-4-methoxyphenol489-01-059 % similar tert-Butylhydroquinone1948-33-056 % similar 2,4-Di-tert-butylphenol96-76-456 % similar 4-Bromo-2-tert-butylphenol10323-39-455 % similar 2-Amino-4-methoxyphenol20734-76-355 % similar 2-tert-Butyl-4-methylphenol2409-55-455 % similar 4-Methoxy-2-methylphenol5307-05-155 % similar 2-Fluoro-4-methoxyphenol167683-93-453 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

5,6,7,7a-Tetrahydro-4,4,7a-trimethyl-2(4H)-benzofuranone15356-74-8 Dihydroactinidiolide17092-92-1 Olivetol500-66-3 (2E,4E,6Z)-Methyl deca-2,4,6-trienoate51544-64-0 4-Methoxybenzenebutanol52244-70-9 4-Butoxybenzenemethanol6214-45-5 (Diethoxymethyl)benzene774-48-1

Elsewhere

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