298-81-7
Product Name:
8-Methoxypsoralen
Formula:
C12H8O4
Synonyms:
Xanthotoxin;Methoxsalen;8-Methoxypsoralen;8-MOP;Ammoidin
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | 8-methoxypsoralen is an odorless white to cream-colored crystalline solid. Bitter taste followed by tingling sensation. (NTP, 1992) |
|---|---|
| Color/Form | Silky needles from hot water or benzene + petroleum ether |
| Odor | Odorless |
| Taste | Bitter taste followed by tingling sensation |
| Melting Point | 298 °F (NTP, 1992) |
| Solubility | less than 1 mg/mL at 59 °F (NTP, 1992) |
| LogP | 1.7 |
| LogS | -3.66 |
| Stability/Shelf Life | Stable under recommended storage conditions. |
| Decomposition | Hazardous decomposition products formed under fire conditions: Carbon oxides |
| pH | pH = 5.5 |
| Collision Cross Section | 139.9 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
| Kovats Retention Index | 1990 1980 1990 1980 |
| Other Experimental Properties | log Kow = 2.07 (OECD Guideline 107) |
| Chemical Classes | Other Classes -> Other Organic Compounds |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Health Hazard GHS08 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H317:Sensitisation, Skin H341:Germ cell mutagenicity H351:Carcinogenicity |
| Precautionary Statement Codes |
P202:Do not handle until all safety precautions have been read and understood. P261:Avoid breathing dust/fume/gas/mist/vapours/spray. 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. P302+P352:IF ON SKIN: wash with plenty of soap and water. P308+P313:IF exposed or concerned: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 216.19 g/mol |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 216.04225873 g/mol |
| Monoisotopic Mass | 216.04225873 g/mol |
| Topological Polar Surface Area | 48.7 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 325 |
| 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
8-methoxypsoralen is an odorless white to cream-colored crystalline solid. Bitter taste followed by tingling sensation. (NTP, 1992)