Basic information
- CAS
6022-36-2- Standard SMILES
Cc1ccc(C2(C)CC(C)(C)c3ccc(C)cc3O2)c(O)c1- InChIKey
MXPGQUVVLMPLEC-UHFFFAOYSA-N- Molecular formula
- C20H24O2
- Average molar mass
- 296.4 g/mol
- Monoisotopic mass
- 296.17763
Overview
2'-Hydroxy-2,4,4,7,4'-pentamethylflavan has been reported in Duhaldea nervosa with data available.
Names & identifiers
- Preferred name
- 2-(3,4-Dihydro-2,4,4,7-tetramethyl-2H-1-benzopyran-2-yl)-5-methylphenol
- IUPAC
- 5-methyl-2-(2,4,4,7-tetramethyl-3H-chromen-2-yl)phenol
Names & synonyms
Inulavosin6022-36-22'-Hydroxy-2,4,4,7,4'-pentamethylflavan5-methyl-2-(2,4,4,7-tetramethyl-3H-chromen-2-yl)phenolDTXSID101033952RefChem:454606DTXCID7015186912-(3,4-Dihydro-2,4,4,7-tetramethyl-2H-1-benzopyran-2-yl)-5-methylphenol5-methyl-2-(2,4,4,7-tetramethylchroman-2-yl)phenolNSC441765-methyl-2-(2,4,4,7-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-yl)phenolIN 531
Show more names
NSC 44176BRN 02791692,4,4,4',7-Pentamethyl-2'-flavanol2'-Flavanol, 2,4,4,4',7-pentamethyl-Phenol, 5-methyl-2-(2,4,4,7-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-yl)-5-17-04-00566 (Beilstein Handbook Reference)SCHEMBL4665594SCHEMBL29908705
Database identifiers
- CAS
6022-36-2- PubChem CID
- 97820
- DTXSID
DTXSID101033952- EC Number
- 659-643-6
- Nikkaji
- J675.404J
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 405
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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