90-02-8
Product Name:
Salicylaldehyde
Formula:
C7H6O2
Synonyms:
2-Hydroxybenzaldehyde;Salicylaldehyde
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid; colorless or pale yellow; bitter almond odor. Sinks and mixes slowly in water. (USCG, 1999) |
|---|---|
| Color/Form | Liquid |
| Odor | Bitter, almond-like odor |
| Taste | Nut-like, coumarin flavor at low levels |
| Boiling Point | 386 °F at 760 mmHg (USCG, 1999) |
| Melting Point | 19.4 °F (USCG, 1999) |
| Flash Point | 172 °F (USCG, 1999) |
| Solubility | Solubility in water, 1.7X10+4 mg/L at 86 °C |
| Density | 1.1674 at 68 °F (USCG, 1999) - Denser than water; will sink |
| Vapor Density | 4.2 (USCG, 1999) - Heavier than air; will sink (Relative to Air) |
| Vapor Pressure | 1.09 mmHg at 90 °F (USCG, 1999) |
| LogP | log Kow = 1.81 |
| Stability/Shelf Life | Stable under recommended storage conditions. |
| Decomposition | Hazardous decomposition products formed under fire conditions: Carbon oxides |
| Viscosity | Dynamic viscosity = 2.50X10-3 Pa.s at 25 °C |
| Heat of Combustion | -27.29 kJ/g at 20 °C and constant pressure |
| Surface Tension | 42X10-3 N/m at 25 °C |
| Ionization Efficiency | Negative |
| Refractive Index | Index of refraction: 1.5740 at 20 °C/D; Sadtler Ref Number: 9989 (IR, prism); max absorption (hexane): 257 nm (log e = 4.07); 324 nm (log e = 3.56) |
| Collision Cross Section | 118.7 Ų [M-H]- |
| Kovats Retention Index | 1013 1011 1026 1024 1021 1025 1031 1008 1003 1041.4 1047.6 1062 1044 1062 1074 1045 1029 1031 1062 1027 1030.3 1012 1005 1008 1072 |
| Other Experimental Properties | log Kow = 1.66 at 25 °C pH 6.2 - 6.3 (The pH value naturally occurred during testing) /OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)/ |
| Chemical Classes | Other Classes -> Benzaldehydes |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Health Hazard GHS08  Environment GHS09 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H341:Germ cell mutagenicity H411:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P202:Do not handle until all safety precautions have been read and understood. P273:Avoid release to the environment. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P308+P313:IF exposed or concerned: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 122.12 g/mol |
|---|---|
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 122.036779430 g/mol |
| Monoisotopic Mass | 122.036779430 g/mol |
| Topological Polar Surface Area | 37.3 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 101 |
| 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
Liquid; colorless or pale yellow; bitter almond odor. Sinks and mixes slowly in water. (USCG, 1999)