77-40-7
| Name | 2,2-Bis(4-hydroxyphenyl)butane |
| CAS | 77-40-7 |
| EINECS(EC#) | 201-025-1 |
| Molecular Formula | C16H18O2 |
| MDL Number | MFCD00020179 |
| Molecular Weight | 242.31 |
| MOL File | 77-40-7.mol |
Chemical Properties
| Melting point | 126°C |
| Boiling point | 345.14°C (rough estimate) |
| density | 1.0537 (rough estimate) |
| refractive index | 1.6000 (estimate) |
| storage temp. | Inert atmosphere,Room Temperature |
| solubility | DMSO (Slightly), Methanol (Slightly) |
| form | Solid |
| pka | 10.27±0.10(Predicted) |
| color | White to Off-White |
| Henry's Law Constant | 8.2×105 mol/(m3Pa) at 25℃, HSDB (2015) |
| InChI | InChI=1S/C16H18O2/c1-3-16(2,12-4-8-14(17)9-5-12)13-6-10-15(18)11-7-13/h4-11,17-18H,3H2,1-2H3 |
| InChIKey | HTVITOHKHWFJKO-UHFFFAOYSA-N |
| SMILES | C(C1=CC=C(O)C=C1)(C1=CC=C(O)C=C1)(C)CC |
| CAS DataBase Reference | 77-40-7(CAS DataBase Reference) |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H302-H319-H413 |
| Precautionary statements | P264-P270-P273-P280-P301+P312-P305+P351+P338 |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | WGK 3 |
| RTECS | SM1210200 |
| HazardClass | IRRITANT |
| HS Code | 29242995 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Aquatic Chronic 4 Eye Irrit. 2 |
| Hazardous Substances Data | 77-40-7(Hazardous Substances Data) |
