HuagongsheHuagongshe Chemistry Print Report · For research reference only
1,2-Cyclohexanediol
Cyclohexanediole · trans-cyclohexane-1,2-diol · ca.98% · NSC 34836 · NSC 150568 · Hexahydrocatechol · 1,2-trans-Cyclohexanediol · rans-cyclohexane-1,2-diol
Identifiers & Physical Properties
| CAS No. | 1460-57-7 |
|---|---|
| Molecular formula | C6H12O2 |
| Average molar mass | 116.16 g/mol |
| Monoisotopic mass | 116.08372962 g/mol |
| SMILES | OC1CCCCC1O |
| InChIKey | PFURGBBHAOXLIO-UHFFFAOYSA-N |
| PubChem CID | 13601 |
| ChEBI | CHEBI:24567 |
| EC No. | 213-229-8 |
| DTXSID | DTXSID50871843 |
Chemical & Physical Properties
| XLogP | 0.2 |
|---|---|
| Topological polar surface area | 40.5 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 0 |
| Heavy atoms | 8 |
| Formal charge | 0 |
| Complexity | 62.9 |
| SpringerMaterials Properties | Crystal structure |
| Melting point | 101-104 °C(lit.) |
| Boiling point | 117 °C (12.7517 mmHg) |
| Density | 0.9958 (rough estimate) |
| Vapor pressure | 4 hPa (110 °C) |
| Refractive index | 1.4270 (estimate) |
| Flash point | 134 °C |
| Storage conditions | Store below +30°C. |
| Solubility | Soluble in chloroform and methanol. |
| Physical state | Crystals or Crystalline Powder |
| pKa (acidity coefficient) | 14.49±0.40(Predicted) |
| Color | Off-white |
| BRN | 3193810 |
| InChI | 1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2/t5-,6-/m1/s1 |
| InChIKey | PFURGBBHAOXLIO-PHDIDXHHSA-N |
| SMILES | O[C@@H]1CCCC[C@H]1O |
| CAS DataBase Reference | 1460-57-7(CAS DataBase Reference) |
| FDA UNII | 89G7G95Z1Y |
| NIST Chemistry Reference | 1,2-Cyclohexanediol, trans-(1460-57-7) |
| EPA Substance Registry System | trans-1,2-Cyclohexanediol (1460-57-7) |
| UNSPSC Code | 12352104 |
| NACRES | NA.23 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302-H315-H319-H332-H335 |
| GHS precautionary statements | P261-P280-P305+P351+P338 |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type N95 (US) |
| Hazard symbols | F |
| Safety statements (S) | 23-24/25 |
| Water hazard class (WGK) | 3 |
| Autoignition temperature | 360 °C |
| Customs code | 2906 19 00 |
| Storage class | 11 - Combustible Solids |
Safety & Regulations
| GHS classification | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Regulatory information | Chemical: 1,2-Cyclohexanediol |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type N95 (US) |
| Water hazard class (WGK) | 3 |
| Customs code | 2906 19 00 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | F |
| Safety statements (S) | 23-24/25 |
| Storage class | 11 - Combustible Solids |
| GHS hazard statements | H302-H315-H319-H332-H335 |
| Autoignition temperature | 360 °C |
| GHS precautionary statements | P261-P280-P305+P351+P338 |
Applications & Uses
Uses
trans-1,2-Cyclohexanediol is used as an organic chemical synthesis intermediate.