5-tert-Butyl-2-hydroxy-benzaldehyde

C₁₁H₁₄O₂CAS 2725-53-3178.23 g/mol

Open in Covalent MOL file

Aldehyde Phenol

Properties

Molecular formula: C₁₁H₁₄O₂
Molar mass: 178.23 g/mol
Exact mass: 178.0994 Da
logP: 2.50Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed33.3% of notifiers
H315 Causes skin irritation66.7% of notifiers
H318 Causes serious eye damage33.3% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

2725-53-3

SMILES

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

InChIKey

ZVCQQLGWGRTXGC-UHFFFAOYSA-N

InChI

InChI=1S/C11H14O2/c1-11(2,3)9-4-5-10(13)8(6-9)7-12/h4-7,13H,1-3H3

Weigh it out

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

Names and synonyms

1 names

5-tert-Butylsalicylaldehyde

Work with 5-tert-Butyl-2-hydroxy-benzaldehyde

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

4-tert-Butyl-2-hydroxybenzaldehyde66232-34-677 % similar 2-Bromo-5-(1,1-dimethylethyl)benzaldehyde875664-28-160 % similar 4-tert-Butylcatechol98-29-358 % similar 5-Methylsalicylaldehyde613-84-356 % similar 2,5-Dihydroxybenzaldehyde1194-98-555 % similar 4-Hydroxyisophthalaldehyde3328-70-955 % similar 2,4-Di-tert-butylphenol96-76-455 % similar 3,5-Di-tert-butylsalicylaldehyde37942-07-754 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Benzyl isobutyrate103-28-6 Benzyl butyrate103-37-7 4-(4-Methoxyphenyl)-2-butanone104-20-1 1-Phenylethyl propionate120-45-6 Isobutyl benzoate120-50-3 2-Phenethyl propionate122-70-3 3-Phenylpropyl acetate122-72-5 Butyl benzoate136-60-7

Elsewhere

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