3,5-Di-tert-butyl-4-hydroxybenzaldehyde

C₁₅H₂₂O₂CAS 1620-98-0234.34 g/mol

Open in Covalent MOL file

Aldehyde Phenol

Properties

Molecular formula: C₁₅H₂₂O₂
Molar mass: 234.34 g/mol
Exact mass: 234.1620 Da
Melting point: 189 °C
logP: 3.80Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation91.7% of notifiers

Aggregated from 12 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

1620-98-0

SMILES

CC(C)(C)c1cc(C=O)cc(C(C)(C)C)c1O

InChIKey

DOZRDZLFLOODMB-UHFFFAOYSA-N

InChI

InChI=1S/C15H22O2/c1-14(2,3)11-7-10(9-16)8-12(13(11)17)15(4,5)6/h7-9,17H,1-6H3

Weigh it out

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

Names and synonyms

8 names

Benzaldehyde, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-
Benzaldehyde, 3,5-di-tert-butyl-4-hydroxy-
3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzaldehyde
2,6-Di-tert-Butyl-4-formylphenol
4-Hydroxy-3,5-di-tert-butylbenzaldehyde
4-Formyl-2,6-di-tert-butylphenol
NSC 14450
3,5-Ditert-butyl-4-hydroxybenzaldehyde

Work with 3,5-Di-tert-butyl-4-hydroxybenzaldehyde

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

2,4,6-Tri-tert-butylphenol732-26-355 % similar 3,5-Di-tert-butyl-4-hydroxycinnamic acid22014-01-354 % similar Butylated hydroxytoluene128-37-053 % similar 3,5-Bis(tert-butyl)benzaldehyde17610-00-353 % similar 4-Bromo-2,6-di-tert-butylphenol1139-52-252 % similar 4,4'-Methylenebis(2,6-di-tert-butylphenol)118-82-152 % similar 3,5-Dimethyl-4-hydroxybenzaldehyde2233-18-352 % similar 2,6-Bis(1,1-dimethylethyl)-4-mercaptophenol950-59-452 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,5-Bis(tert-butyl)benzoic acid16225-26-6 9-Phenylnonanoic acid16269-06-0 2-Methyl-2-adamantyl methacrylate177080-67-0 Curcumenol19431-84-6 4-(Octyloxy)benzaldehyde24083-13-4 Valerenic acid3569-10-6 4-Octylbenzoic acid3575-31-3 3,5-Di-tert-butylsalicylaldehyde37942-07-7

Elsewhere

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