1,3-Dihydroxy-4-n-hexylbenzene
4-Hexylresorcinol
CAS: 136-77-6
Molecular Formula: C12H18O2
1,3-Dihydroxy-4-n-hexylbenzene - Names and Identifiers
| Name | 4-Hexylresorcinol |
| Synonyms | Adrover Hexylresorcinol 4-Hexylresorcinol 4-hexylresourcinol 4-hexylbenzene-1,3-diol 5-hexylbenzene-1,3-diol 4-Hexyl-1,3-benzenediol 1,3-Benzenediol, 4-hexyl- 4-Hexyl-1,3-dihydroxybenzene 1,3-Dihydroxy-4-Hexylbenzene 1-(2,4-Dihydroxyphenyl)hexane 1,3-Dihydroxy-4-n-hexylbenzene 1-(2',4'-Dihydroxyphenyl)hexane 1,3-Benzenediol,4-Hexyl-1,3-benzenediol |
| CAS | 136-77-6 |
| EINECS | 205-257-4 |
| InChI | InChI=1/C12H18O2/c1-2-3-4-5-6-10-7-11(13)9-12(14)8-10/h7-9,13-14H,2-6H2,1H3 |
| InChIKey | WFJIVOKAWHGMBH-UHFFFAOYSA-N |
1,3-Dihydroxy-4-n-hexylbenzene - Physico-chemical Properties
| Molecular Formula | C12H18O2 |
| Molar Mass | 194.27 |
| Density | 1.0010 (rough estimate) |
| Melting Point | 65-67 °C (lit.) |
| Boling Point | 333-335 °C (lit.) |
| Flash Point | >100°C |
| Water Solubility | 0.05 g/100 mL (18 ºC) |
| Solubility | chloroform: 50mg/mL, clear |
| Vapor Presure | 0.001Pa at 25℃ |
| Appearance | Slightly red powder |
| Color | White to pale orange or pale pink |
| Merck | 14,4712 |
| BRN | 2048312 |
| pKa | pKa 9.1 (Uncertain) |
| PH | 7.7 (0.5g/l, H2O, 20℃) |
| Storage Condition | 2-8°C |
| Stability | Stable. Incompatible with acid chlorides, acid anhydrides, oxidizing agents. |
| Refractive Index | 1.5050 (estimate) |
| MDL | MFCD00002284 |
| Physical and Chemical Properties | Melting Point 65-70°C boiling point 333-335°C water-soluble 0.05g/100 mL (18°C) |
1,3-Dihydroxy-4-n-hexylbenzene - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | R22 - Harmful if swallowed R36/37/38 - Irritating to eyes, respiratory system and skin. R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S24/25 - Avoid contact with skin and eyes. |
| UN IDs | UN 3077 9 / PGIII |
| WGK Germany | 3 |
| RTECS | VH1575000 |
| TSCA | Yes |
| HS Code | 29072900 |
| Toxicity | LD50 orally in Rabbit: 550 mg/kg |
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