(1,9 OR 2,9 OR 3,9 OR 4,9)-Diisopropyl-9-hydroxy-10(9H)-anthrone
Basic information
- CAS
24296-44-4- Standard SMILES
CC(C)c1ccc2c(c1)C(O)(C(C)C)c1ccccc1C2=O- InChIKey
XWXHENNAXBEYHR-UHFFFAOYSA-N- Molecular formula
- C20H22O2
- Average molar mass
- 294.4 g/mol
- Monoisotopic mass
- 294.16197994
Names & identifiers
- Preferred name
- (1,9 OR 2,9 OR 3,9 OR 4,9)-Diisopropyl-9-hydroxy-10(9H)-anthrone
- IUPAC
- 10-hydroxy-3,10-di(propan-2-yl)anthracen-9-one
- English name
- (1,9 or 2,9 or 3,9 or 4,9)-Diisopropyl-9-hydroxy-10(9H)-anthrone
- Molecular formula
- C20H22O2
- Molecular weight
- 294.39
Names & synonyms
(1,9 OR 2,9 OR 3,9 OR 4,9)-DIISOPROPYL-9-HYDROXY-10(9H)-ANTHRONERefChem:39148224296-44-4660-919-3AKOS0243389449(10H)-Anthracenone, 10-hydroxy-3,10-bis(1-methylethyl)-
Database identifiers
- CAS
24296-44-4- PubChem CID
- 4160237
- EC Number
- 660-919-3
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 427
Physicochemical properties
- Boiling point
- 438.8 · 438.8±34.0 °C(Predicted)
- Density
- 1.131 · 1.131±0.06 g/cm3(Predicted)
- pka
- 13.21 · 13.21±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 410 · H410-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P273-P391-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H410-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P273-P391-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…