Guaiacol
- Product NameGuaiacol
- CAS90-05-1
- CBNumberCB3214914
- MFC7H8O2
- MW124.14
- EINECS201-964-7
- MDL NumberMFCD00002185
- MOL File90-05-1.mol
Chemical Properties
| Melting point: | 26-29 °C (lit.) |
| Boiling point: | 205 °C (lit.) |
| Density | 1.129 g/mL at 25 °C (lit.) |
| vapor density | 4.27 (vs air) |
| vapor pressure | 0.11 mm Hg ( 25 °C) |
| refractive index | n |
| FEMA | 2532 | GUAIACOL |
| Flash point: | 180 °F |
| storage temp. | 2-8°C |
| solubility | H2O: insoluble |
| form | Liquid After Melting |
| pka | 9.98(at 25℃) |
| color | Clear colorless to light yellow |
| Odor | at 1.00 % in dipropylene glycol. phenolic smoke spice vanilla woody |
| PH | 5.4 (10g/l, H2O, 20℃) |
| Odor Threshold | 0.0074ppm |
| Odor Type | phenolic |
| Water Solubility | 17 g/L (15 ºC) |
| FreezingPoint | 28℃ |
| Sensitive | Air Sensitive |
| Merck | 14,4553 |
| JECFA Number | 713 |
| BRN | 508112 |
| Henry's Law Constant | 8.6×100 mol/(m3Pa) at 25℃, McFall et al. (2020) |
| Dielectric constant | 11.0(-18℃) |
| Stability: | Stable, but air and light sensitive. Combustible. Incompatible with strong oxidizing agents. |
| Cosmetics Ingredients Functions | PERFUMING |
| InChI | 1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3 |
| InChIKey | LHGVFZTZFXWLCP-UHFFFAOYSA-N |
| SMILES | COc1ccccc1O |
| LogP | 1.34 |
| CAS DataBase Reference | 90-05-1(CAS DataBase Reference) |
| NIST Chemistry Reference | Phenol, 2-methoxy-(90-05-1) |
| EPA Substance Registry System | Guaiacol (90-05-1) |
Safety
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H302-H315-H319 | |||||||||
| Precautionary statements | P264-P270-P280-P301+P312-P302+P352-P305+P351+P338 | |||||||||
| Hazard Codes | Xn,T,Xi | |||||||||
| Risk Statements | 22-36/38 | |||||||||
| Safety Statements | 26 | |||||||||
| RIDADR | 2810 | |||||||||
| WGK Germany | 1 | |||||||||
| RTECS | SL7525000 | |||||||||
| Autoignition Temperature | 750 °C | |||||||||
| Hazard Note | Toxic/Irritant | |||||||||
| TSCA | TSCA listed | |||||||||
| HazardClass | 6.1(b) | |||||||||
| PackingGroup | II | |||||||||
| HS Code | 2909500000 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| Hazard Classifications |
Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 |
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| Hazardous Substances Data | 90-05-1(Hazardous Substances Data) | |||||||||
| Toxicity |
LD50:900 mg / kg (rat, subcutaneous). LD50: 3.7 mg / kg (rabbit, intravenously). Oral administration of large amount can stimulate the esophagus and stomach, resulting in heart failure, collapse and death. |
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| Toxicity | LD50 orally in rats: 725 mg/kg (Taylor) | |||||||||
| REACH Registrations | Active | |||||||||
| NFPA 704: |
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