136-77-6
Product Name:
4-Hexylresorcinol
Formula:
C12H18O2
Synonyms:
1,3-Dihydroxy-4-hexylbenzene, 1,3-Dihydroxy-4-hexylbenzene;4-Hexyl-1,3-dihydroxybenzene;4-Hexylresorcinol;Antascarin;Ascarinol
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | P-hexylresorcinol appears as pale-yellow viscous liquid (that becomes solid on standing at room temperature) or a peach colored powder. Pungent faintly fatty odor. Sharp astringent taste. (NTP, 1992) |
|---|---|
| Color/Form | Pale yellow, heavy liq becoming solid on standing at room temp; needles from benzene or petroleum ether |
| Odor | Pungent odor |
| Taste | Sharp astringent taste |
| Boiling Point | 631 °F at 760 mmHg (NTP, 1992) |
| Melting Point | 154 to 156 °F (NTP, 1992) |
| Solubility | less than 1 mg/mL at 73 °F (NTP, 1992) |
| Vapor Pressure | 0.00000845 [mmHg] |
| LogP | log Kow = 3.45 |
| Refractive Index | Index of refraction = -53 at 20 °C/D (aq HCl) |
| Collision Cross Section | 129 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
| Kovats Retention Index | 1777 |
| Chemical Classes | Other Classes -> Phenols |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Environment GHS09 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H319:Serious eye damage/eye irritation H411:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 194.27 g/mol |
|---|---|
| XLogP3 | 3.5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 194.130679813 g/mol |
| Monoisotopic Mass | 194.130679813 g/mol |
| Topological Polar Surface Area | 40.5 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 147 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
P-hexylresorcinol appears as pale-yellow viscous liquid (that becomes solid on standing at room temperature) or a peach colored powder. Pungent faintly fatty odor. Sharp astringent taste. (NTP, 1992)
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