HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-Chloro-beta-(4-chlorophenyl)benzeneethanol
DDOM · DDOH · p'-Ddoh · p,p'-Ddoh · 4,4'-DDOH · C12070000 4,4`-DDOH · 2,2-Bis4-chlorophenyl · Cetirizine Impurity 86
Identifiers & Physical Properties
| CAS No. | 2642-82-2 |
|---|---|
| Molecular formula | C14H12Cl2O |
| Average molar mass | 267.1 g/mol |
| Monoisotopic mass | 266.02652036 g/mol |
| SMILES | OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 |
| InChIKey | ZVIDYKRNLNAXFT-UHFFFAOYSA-N |
| PubChem CID | 17533 |
| ChEMBL | CHEMBL3182945 |
| ChEBI | CHEBI:28410 |
| EC No. | 220-148-1 |
| DTXSID | DTXSID5041308 |
Chemical & Physical Properties
| XLogP | 4.4 |
|---|---|
| Topological polar surface area | 20.2 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 3 |
| Heavy atoms | 17 |
| Formal charge | 0 |
| Complexity | 196 |
| Melting point | 100-102 °C(lit.) |
| Boiling point | 387.7±32.0 °C(Predicted) |
| Density | 1.287±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 14.42±0.10(Predicted) |
| Physical state | solid |
| BRN | 2055080 |
| InChI | 1S/C14H12Cl2O/c15-12-5-1-10(2-6-12)14(9-17)11-3-7-13(16)8-4-11/h1-8,14,17H,9H2 |
| InChIKey | ZVIDYKRNLNAXFT-UHFFFAOYSA-N |
| SMILES | OCC(c1ccc(Cl)cc1)c2ccc(Cl)cc2 |
| EWG's Food Scores | 1 |
| FDA UNII | 59856K2U1E |
| EPA Substance Registry System | 2,2-Bis(p-chlorophenyl)ethanol (2642-82-2) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302+H312+H332-H315-H319-H335 |
| GHS precautionary statements | P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338 |
| Target organs | Respiratory system |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Hazard symbols | Xn |
| Risk statements (R) | 20/21/22-36/37/38 |
| Safety statements (S) | 26-36 |
| Water hazard class (WGK) | 3 |
| RTECS number | DA0470000 |
| Storage class | 11 - Combustible Solids |
| Hazard class | Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
Safety & Regulations
| GHS classification | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Water hazard class (WGK) | 3 |
| RTECS number | DA0470000 |
| Risk statements (R) | 20/21/22-36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xn |
| Safety statements (S) | 26-36 |
| Storage class | 11 - Combustible Solids |
| Target organs | Respiratory system |
| GHS hazard statements | H302+H312+H332-H315-H319-H335 |
| Hazard class | Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| GHS precautionary statements | P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338 |
Applications & Uses
Uses
DDOH is a metabolite of DDT and forms conjugates with palmitic acid in DDT-treated female rats.
General Description
DDOH is a metabolite of DDT and forms conjugates with palmitic acid in DDT-treated female rats.