Hydrogenated bisphenol A

C₁₅H₂₈O₂CAS 80-04-6240.39 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₅H₂₈O₂
Molar mass: 240.39 g/mol
Exact mass: 240.2089 Da
Melting point: 110–140 °C
logP: 3.11Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Hazards

Warning

H319 Causes serious eye irritation29.2% of notifiers
H412 Harmful to aquatic life with long lasting effects63.2% of notifiers

Aggregated from 185 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P273, P280, P305+P351+P338, P337+P317, P501

Identifiers

CAS number

80-04-6

SMILES

CC(C)(C1CCC(O)CC1)C1CCC(O)CC1

InChIKey

CDBAMNGURPMUTG-UHFFFAOYSA-N

InChI

InChI=1S/C15H28O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h11-14,16-17H,3-10H2,1-2H3

Weigh it out

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Names and synonyms

16 names · show all

Cyclohexanol, 4,4′-(1-methylethylidene)bis-
Cyclohexanol, 4,4′-isopropylidenedi-
4,4′-(1-Methylethylidene)bis[cyclohexanol]
HBPA
2,2-Bis(4-hydroxycyclohexyl)propane
1,1′-Isopropylidenebis[4-cyclohexanol]
Dodecahydrobisphenol A
Perhydrobisphenol A
Hydrobisphenol A
Rikabinol HB
4,4′-Isopropylidenedicyclohexanol
NSC 8990
NSC 8991
NSC 8992
HBPA (diol)
4,4′-(Propane-2,2-diyl)dicyclohexanol

Work with Hydrogenated bisphenol A

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-Butylcyclohexanol98-52-264 % similar Hydrogenated bisphenol-A epoxy resin30583-72-360 % similar 4-(1,1-Dimethylpropyl)cyclohexanol5349-51-954 % similar Cyclopropanol16545-68-950 % similar 4-(Trifluoromethyl)cyclohexan-1-ol30129-18-150 % similar 1,4-Cyclohexanediol556-48-950 % similar trans-1,4-Cyclohexanediol6995-79-550 % similar 4-(5,5,6-Trimethylbicyclo[2.2.1]hept-2-yl)cyclohexanol66068-84-647 % similar

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

Same formula

Pentadecalactone106-02-5 Lauryl acrylate2156-97-0 3,7-Diethyl-3,7-dimethyl-4,6-nonanedione865193-73-3

Elsewhere

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