2,5-Bis(1,1,3,3-tetramethylbutyl)-1,4-benzenediol

C₂₂H₃₈O₂CAS 903-19-5334.54 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₂H₃₈O₂
Molar mass: 334.54 g/mol
Exact mass: 334.2872 Da
Melting point: 128.5–129.5 °C
logP: 6.53Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed25% of notifiers
H315 Causes skin irritation37.5% of notifiers
H317 May cause an allergic skin reaction25% of notifiers
H319 Causes serious eye irritation37.5% of notifiers
H335 May cause respiratory irritation12.5% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure25% of notifiers
H413 May cause long lasting harmful effects to aquatic life12.5% of notifiers

Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

903-19-5

SMILES

CC(C)(C)CC(C)(C)c1cc(O)c(C(C)(C)CC(C)(C)C)cc1O

InChIKey

CLDZVCMRASJQFO-UHFFFAOYSA-N

InChI

InChI=1S/C22H38O2/c1-19(2,3)13-21(7,8)15-11-18(24)16(12-17(15)23)22(9,10)14-20(4,5)6/h11-12,23-24H,13-14H2,1-10H3

Weigh it out

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

Names and synonyms

8 names

1,4-Benzenediol, 2,5-bis(1,1,3,3-tetramethylbutyl)-
Hydroquinone, 2,5-bis(1,1,3,3-tetramethylbutyl)-
2,5-Di-tert-octylhydroquinone
2,5-Bis(1,1,3,3-tetramethylbutyl)hydroquinone
88HQ
2,5-Di(1,1,3,3-tetramethylbutyl)hydroquinone
DOHQ
2,5-Bis(2,4,4-trimethylpentan-2-yl)benzene-1,4-diol

Work with 2,5-Bis(1,1,3,3-tetramethylbutyl)-1,4-benzenediol

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

Octylphenol27193-28-863 % similar 2,5-Bis(1,1-dimethylpropyl)-1,4-benzenediol79-74-361 % similar 2,2′-Thiobis[4-(1,1,3,3-tetramethylbutyl)phenol]3294-03-950 % similar 2,5-Di-tert-butylhydroquinone88-58-448 % similar 4-tert-Octylphenol140-66-947 % similar 2,4-Di-tert-amylphenol120-95-642 % similar 2-(2-Hydroxy-5-tert-octylphenyl)benzotriazole123307-21-141 % similar 2-(2-Hydroxy-5-tert-octylphenyl)benzotriazole3147-75-941 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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