Butylated hydroxyanisole

C₁₁H₁₆O₂CAS 121-00-6180.25 g/mol

Open in Covalent MOL file

Ether Phenol

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)
Flash point: 113 °C (closed cup)
Water solubility: < 1 g/L (18.5 °C)
logP: 2.70Crippen estimate
Polar surface area: 29.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed34% of notifiers
H315 Causes skin irritation52.5% of notifiers
H319 Causes serious eye irritation76.2% of notifiers
H335 May cause respiratory irritation19.8% of notifiers
H351 Suspected of causing cancer68.9% of notifiers
H361 Suspected of damaging fertility or the unborn child18.3% of notifiers
H361f Suspected of damaging fertility12.3% of notifiers
H411 Toxic to aquatic life with long lasting effects42% of notifiers

Aggregated from 847 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

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

(±)-Dihydroactinidiolide15356-74-8 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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