p-tert-Butoxyphenol

C₁₀H₁₄O₂CAS 2460-87-9166.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₄O₂
Molar mass: 166.22 g/mol
Exact mass: 166.0994 Da
logP: 2.57Crippen estimate
Polar surface area: 29.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Danger

H301+H311+H331 Toxic if swallowed, in contact with skin or if inhaled14.3% of notifiers
H301 Toxic if swallowed14.3% of notifiers
H312 Harmful in contact with skin14.3% of notifiers
H315 Causes skin irritation85.7% of notifiers
H319 Causes serious eye irritation85.7% of notifiers
H332 Harmful if inhaled14.3% of notifiers
H335 May cause respiratory irritation71.4% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

2460-87-9

SMILES

CC(C)(C)OC1=CC=C(C=C1)O

InChIKey

CIICLJLSRUHUBY-UHFFFAOYSA-N

InChI

InChI=1S/C10H14O2/c1-10(2,3)12-9-6-4-8(11)5-7-9/h4-7,11H,1-3H3

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Names and synonyms

1 names

4-tert-Butoxyphenol

Work with p-tert-Butoxyphenol

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

Similar compounds

tert-Butoxybenzene6669-13-256 % similar 1-tert-Butoxy-4-chlorobenzene18995-35-256 % similar 4-(Trifluoromethoxy)phenol828-27-356 % similar 4-Methoxyphenol150-76-550 % similar 4,4′-Dihydroxydiphenyl ether1965-09-950 % similar 4-(1,1-Dimethylethoxy)benzaldehyde57699-45-350 % similar 1-(1,1-Dimethylethoxy)-4-ethenylbenzene95418-58-950 % similar 1,1-Dimethylethyl 4-hydroxybenzoate25804-49-345 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Phenylacetaldehyde dimethyl acetal101-48-4 Camphoroquinone10334-26-6 Bornane-2,3-dione10373-78-1 4-Butoxyphenol122-94-1 1,4-Diethoxybenzene122-95-2 2-Hexanoylfuran14360-50-0 Hexahydro-2,5-methanopentalene-3a(1H)-carboxylic acid16200-53-6 4-Butylresorcinol18979-61-8

Elsewhere

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