CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Color/Form | Almost white crystals |
| Odor | Musky, sweet, animal odor |
| Taste | Solvent-like with a dirty, musty brown, earthy nuance |
| Boiling Point | BP: 304.5 °C at 101.325 kPa |
| Melting Point | 78.5 °C |
| Solubility | In water, 0.015 mg/L |
| Density | 1.06 at 21 °C |
| Vapor Pressure | VP: 0.05 Pa at 21 °C (3.75X10-3 mm Hg) |
| LogP | log Kow = 5.7 |
| Henry's Law Constant | Henry's Law constant = 1.78X10-2 atm-cu m/mol (1801 Pa) |
| Kovats Retention Index | 1705.1 1706 |
| Other Experimental Properties | Light-stable |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P330:Rinse mouth. P362:Take off contaminated clothing and wash before reuse. 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. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P332+P313:IF SKIN irritation occurs: Get medical advice/attention. P337+P313:IF eye irritation persists: Get medical advice/attention. P405:Store locked up. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 244.37 g/mol |
|---|---|
| XLogP3 | 5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 244.182715385 g/mol |
| Monoisotopic Mass | 244.182715385 g/mol |
| Topological Polar Surface Area | 17.1 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 334 |
| 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
4-Acetyl-6-tert-butyl-1,1-dimethylindane is a member of indanes.