2,5-Di-tert-butylhydroquinone

C₁₄H₂₂O₂CAS 88-58-4222.33 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₂₂O₂
Molar mass: 222.33 g/mol
Exact mass: 222.1620 Da
Melting point: 213–214 °C
logP: 3.69Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed46.6% of notifiers
H302 Harmful if swallowed51.6% of notifiers
H315 Causes skin irritation43.7% of notifiers
H317 May cause an allergic skin reaction66.7% of notifiers
H319 Causes serious eye irritation43.7% of notifiers
H335 May cause respiratory irritation85.3% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure38.7% of notifiers
H400 Very toxic to aquatic life47.3% of notifiers
H410 Very toxic to aquatic life with long lasting effects47.3% of notifiers
H413 May cause long lasting harmful effects to aquatic life19.7% of notifiers

Aggregated from 279 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+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

88-58-4

SMILES

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

InChIKey

JZODKRWQWUWGCD-UHFFFAOYSA-N

InChI

InChI=1S/C14H22O2/c1-13(2,3)9-7-12(16)10(8-11(9)15)14(4,5)6/h7-8,15-16H,1-6H3

Weigh it out

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

Names and synonyms

28 names · show all

1,4-Benzenediol, 2,5-bis(1,1-dimethylethyl)-
Hydroquinone, 2,5-di-tert-butyl-
2,5-Bis(1,1-dimethylethyl)-1,4-benzenediol
Santovar O
Dibug
DTBHQ
2,5-Di-tert-butylquinol
Nocrac NS 7
Antage DBH
Naugard 451
DBH
1,4-Dihydroxy-2,5-di-tert-butylbenzene
2,5-Di-tert-butyl-1,4-hydroquinone
Nonflex alba
2,5-Di-tert-butyl-1,4-benzohydroquinone
2,5-Di-tert-butyl-1,4-benzenediol
NSC 11
NSC 9886
BHQ
2,5-Dihydroxy-1,4-di-tert-butylbenzene
DBHQ
Alba
2,5-Di-tert-butyl-1,4-dihydroxybenzene
3,6-Di-tert-butylhydroquinone
Antioxidant NS 7
Antioxidant alba
Antioxidant DBH
2,5-Ditert-butylbenzene-1,4-diol

Work with 2,5-Di-tert-butylhydroquinone

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

5-Amino-2,4-bis(1,1-dimethylethyl)phenol873055-58-464 % similar tert-Butylhydroquinone1948-33-060 % similar 2,4-Di-tert-butylphenol96-76-460 % similar 4-Bromo-2-tert-butylphenol10323-39-458 % similar 2-tert-Butyl-4-methylphenol2409-55-458 % similar 3-Methyl-6-tert-butylphenol88-60-858 % similar 4,4′-Thiobis[3-methyl-6-tert-butylphenol]96-69-557 % similar 2-tert-Butylphenol88-18-654 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3,5-Di-tert-butylcatechol1020-31-1 4-(Octyloxy)phenol3780-50-5 Isobornyl methacrylate7534-94-3 1,1'-Ethynylenedicyclohexanol78-54-6

Elsewhere

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