CAS 10537-86-7 4-Hydroxy-3,5-bis(isopropyl)benzaldehyde (HCID 82712)

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Basic information

CAS: 10537-86-7
Standard SMILES: CC(C)c1cc(C=O)cc(C(C)C)c1O
InChIKey: WVGDLTQPAQUBMO-UHFFFAOYSA-N
Molecular formula: C13H18O2
Average molar mass: 206.28 g/mol
Monoisotopic mass: 206.13067982

Names & identifiers

Preferred name: 4-Hydroxy-3,5-bis(isopropyl)benzaldehyde
IUPAC: 4-hydroxy-3,5-di(propan-2-yl)benzaldehyde
English name: 4-hydroxy-3,5-bis(isopropyl)benzaldehyde
Molecular formula: C13H18O2
Molecular weight: 206.28

Names & synonyms

10537-86-74-Hydroxy-3,5-bis(isopropyl)benzaldehyde4-hydroxy-3,5-diisopropylbenzaldehyde4-hydroxy-3,5-di(propan-2-yl)benzaldehydeMFCD008128753,5-diisopropyl-4-hydroxybenzaldehyde4-hydroxy-3,5-bis(propan-2-yl)benzaldehydeEINECS 234-111-24-HYDROXY-3,5-BIS(1-METHYLETHYL)BENZALDEHYDE4-Hydroxy-3,5-bis(1-methylethyl)-benzaldehyde4-Hydroxy-3,5-bis(1-methylethyl)benzaldehyde; 3,5-Bis(1-methylethyl)-4-hydroxybenzaldehyde; 3,5-Diisopropyl-4-hydroxybenzaldehyde; 4-Hydroxy-3,5-bis(isopropyl)benzaldehyde; 4-Hydroxy-3,5-diisopropylbenzaldehyde;4-Hydroxy-3,5-diisopropyl-benzaldehyde

Show more names

3,5-Bis(1-methylethyl)-4-hydroxybenzaldehyde3-anilino-N,N-diethyl-1-pyrrolidinecarboxamide

CDS1_003950CBMicro_017454Cambridge id 5318853Benzaldehyde,4-hydroxy-3,5-bis(1-methylethyl)-CHEMBL55354DivK1c_004990orb2695040orb2695045

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 193

Experimental & physicochemical properties

Endocrine DisruptorsPotential endocrine disrupting compound

Physicochemical properties

Melting point: 119 · 119-120 °C
Boiling point: 291.5 · 291.5±40.0 °C(Predicted)
Density: 1.033 · 1.033±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
solubility: Dichloromethane; Ethyl Acetate
form: Solid
pka: 8.83 · 8.83±0.23(Predicted)
color: White

Chemistry & industry

Applications · 1 item

Uses4-hydroxy-3,5-bis(1-methylethyl)-benzaldehyde is used as a starting material for the one-pot synthesis of 3,5-Dialkyl-4-hydroxybenzonitrile derivatives; Also, it is an intermediate used in the synthesis of MTS PHOTO-SWITCHABLE Compound (M125115), a derivative compound of Maleidopropionic Acid (M140750), a sulfhyryl reactive heterobifunctional crosslinking reagent.