1506-02-1
Product Name:
6-ACETYL-1,1,2,4,4,7-HEXAMETHYLTETRALIN
Formula:
C18H26O
Synonyms:
AHMT;Fixolide;Musk tonalid;1-(5,6,7,8-Tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthalenyl)ethanone;1,2,3,4-Tetrahydro-1,1,3,4,4,6-hexamethyl-7-naphthyl methyl ketone
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid; Other Solid |
|---|---|
| Color/Form | White to off-white crystalline solid |
| Odor | Odor type: musk |
| Boiling Point | The boiling temperature at atmospheric pressure is 326 +/- 4 °C. |
| Melting Point | 54.5 °C |
| Solubility | In water, 1.25 mg/L, temp not specified |
| Density | The relative density will be between the bulk density and its density in molten form: 600 < D < 960 kg/cu m |
| Vapor Pressure | 0.000512 [mmHg] |
| LogP | log Kow = 5.70 |
| Henry's Law Constant | Henry's Law constant = 1.4X10-4 atm-cu m/mol at 25 °C (est VP/WS) |
| Stability/Shelf Life | Stable under recommended storage conditions. |
| Decomposition | When heated to decomposition it emits acrid smoke and irritating vapors. |
| Kovats Retention Index | 1849 1849 |
| Other Experimental Properties | Hydroxyl radical reaction rate constant = 1.8X10-11 cu cm/mole-sec at 25 °C |
| Chemical Classes | Other Classes -> Aromatic Ketones |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Environment GHS09 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H410: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. P330:Rinse mouth. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 258.4 g/mol |
|---|---|
| XLogP3 | 5.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 258.198365449 g/mol |
| Monoisotopic Mass | 258.198365449 g/mol |
| Topological Polar Surface Area | 17.1 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 366 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
2-Acetyl-3,5,5,6,8,8-hexamethyl-5,6,7,8- tetrahydronaphthalene is a member of tetralins.