Bisphenol A diacetate

C₁₉H₂₀O₄CAS 10192-62-8312.37 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₉H₂₀O₄
Molar mass: 312.37 g/mol
Exact mass: 312.1362 Da
Melting point: 79.5–81.5 °C
Boiling point: 213–215 °C (at 3 Torr)
logP: 3.86Crippen estimate
Polar surface area: 52.6 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 4

Hazards

Warning

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

Aggregated from 43 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

10192-62-8

SMILES

CC(=O)Oc1ccc(C(C)(C)c2ccc(OC(C)=O)cc2)cc1

InChIKey

NSNHONPMCQYMNT-UHFFFAOYSA-N

InChI

InChI=1S/C19H20O4/c1-13(20)22-17-9-5-15(6-10-17)19(3,4)16-7-11-18(12-8-16)23-14(2)21/h5-12H,1-4H3

Weigh it out

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

Names and synonyms

8 names

Phenol, 4,4'-(1-methylethylidene)bis-, 1,1'-diacetate
Phenol, 4,4′-(1-methylethylidene)bis-, 1,1′-diacetate
Phenol, 4,4′-isopropylidenedi-, diacetate
Phenol, 4,4′-(1-methylethylidene)bis-, diacetate
4,4′-Isopropylidenediphenol diacetate
2,2-Bis(4-acetoxyphenyl)propane
4,4′-Isopropylidenediphenyl diacetate
[4-[2-(4-Acetyloxyphenyl)propan-2-yl]phenyl] acetate

Work with Bisphenol A diacetate

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

Hydroquinone diacetate1205-91-069 % similar 4,4'-Diacetoxybiphenyl32604-29-862 % similar Bisphenol A dimethacrylate3253-39-258 % similar 4-Methylphenyl acetate140-39-658 % similar Phenyl acetate122-79-257 % similar p-Aminophenyl acetate13871-68-656 % similar 4-Fluorophenyl acetate405-51-656 % similar 1-[4-(Acetyloxy)phenyl]ethanone13031-43-155 % similar

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

Same formula

Bis(4-glycidyloxyphenyl)methane2095-03-6 Neopentyl glycol dibenzoate4196-89-8 Benzyl butyl phthalate85-68-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook