90-15-3
Product Name:
1-Naphthol
Formula:
C10H8O
Synonyms:
α-Naphthol;1-Hydroxynaphthalene;1-Naphthol;Duloxetine impurity D (PhEur)
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Pellets or Large Crystals |
|---|---|
| Color/Form | Yellow monoclinic needles from water |
| Odor | Phenolic odor |
| Taste | Disagreeable, burning taste |
| Boiling Point | 288 °C |
| Melting Point | 96 °C |
| Flash Point | 153 °C (open cup) |
| Solubility | In water, 866 mg/L at 25 °C |
| Density | 1.0954 at 98.7 °C/4 °C |
| Vapor Pressure | 0.000274 [mmHg] |
| LogP | log Kow = 2.85 |
| Stability/Shelf Life | Water stability: stable at pH < or =6.5; increased transformation with increased pH. /from table/ |
| Autoignition Temperature | 541.7 °C |
| Decomposition | When heated to decomposition it emits acrid smoke and irritating fumes. |
| Heat of Combustion | 4957.4 kJ/mol (crystal) at 298.16 deg K; 5048.5 kJ/mol at 298.16 deg K (gas) |
| Odor Threshold | Recognition: 0.0030-0.0052 mg/cu m |
| Refractive Index | Index of refraction: 1.6224 at 99 °C/D |
| Dissociation Constants | pKa = 9.34 at 25 °C |
| Kovats Retention Index | 1473.7 1494.9 1517 1484 1487 1494 1517 1483.7 1464 1483.5 1530 1490 |
| Other Experimental Properties | Reduces ammoniacal silver nitrate. Sublimable; volatile with steam. |
| Chemical Classes | Other Classes -> Naphthols |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Corrosion Corrosives GHS05  Skull and Crossbones Acute Toxicity GHS06  Health Hazard GHS08  Environment GHS09 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H311:Acute toxicity,dermal H315:Skin corrosion/irritation H317:Sensitisation, Skin H318:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation H371:Specific target organ toxicity, single exposure H410:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
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 | 144.17 g/mol |
|---|---|
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 144.057514874 g/mol |
| Monoisotopic Mass | 144.057514874 g/mol |
| Topological Polar Surface Area | 20.2 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 133 |
| 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
1-naphthol is a naphthol carrying a hydroxy group at position 1. It has a role as a genotoxin and a human xenobiotic metabolite.