precocene II
Basic information
- CAS
644-06-4- Standard SMILES
COc1cc2c(cc1OC)OC(C)(C)C=C2- InChIKey
PTIDGSWTMLSGAH-UHFFFAOYSA-N- Molecular formula
- C13H16O3
- Average molar mass
- 220.26 g/mol
- Monoisotopic mass
- 220.10994437
Overview
Precocene II is a member of chromenes. It has a role as a member of precocenes.
Names & identifiers
- Preferred name
- precocene II
- IUPAC
- 6,7-dimethoxy-2,2-dimethylchromene
- English name
- Precocene II
- Molecular formula
- C13H16O3
- Molecular weight
- 220.26
Names & synonyms
Precocene II644-06-4AgeratochromenePrecocene 2PRICOCENE IIPrecocen 26,7-dimethoxy-2,2-dimethylchromene6,7-Dimethoxy-2,2-dimethyl-2H-benzo(b)pyran1W2R4TRY5HDTXSID9060942NSC-318792CHEBI:35606
Show more names
precocene2Precocene II,99%Precocene II,Inhibitor,inhibit6,7-DIMETHOXY-2,2-DIMETHYL-3-CHROMENE
6,7-methoxy-2,2-dimethylchromeneRefChem:868414DTXCID9044299211-408-56,7-Dimethoxy-2,2-dimethyl-2H-chromene2H-1-BENZOPYRAN, 6,7-DIMETHOXY-2,2-DIMETHYL-6,7-Dimethoxy-2,2-dimethyl2H-1-benzopyran6,7-Dimethoxy-2,2-dimethyl-2H-1-benzopyran
Database identifiers
- CAS
644-06-4- PubChem CID
- 12565
- DTXSID
DTXSID9060942- ChEMBL
CHEMBL448964- ChEBI
CHEBI:35606- UNII
- 1W2R4TRY5H
- EC Number
- 211-408-5
- Nikkaji
- J5.187J
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 272
Experimental & physicochemical properties
LogP2.77
Physicochemical properties
- Melting point
- 47.5 C · 47.50C
- Boiling point
- 301.2 °C · 301.2°C (rough estimate)
- Density
- 1.1455 · 1.1455 (rough estimate)
- refractive index
- 1.474 · 1.4740 (estimate)
- Flash point
- 113 °C · 113 °C
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- color
- Pale Green to Yellow
- LogP
- 3.38 · 3.380 (est)
- CAS DataBase Reference
- 644 · 644-06-4
- FDA UNII
- 1 W2R4TRY5H · 1W2R4TRY5H
- EPA Substance Registry System
- 2 H-1-Benzopyran, · 2H-1-Benzopyran, 6,7-dimethoxy-2,2-dimethyl- (644-06-4)
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
H341 (100%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesMuta. 2 (100%)
Safety data
- tsca
- TSCA listed
- rtecs
- DJ2527000
- Signal word
- Warning
- Symbol(GHS)
- GHS08
- Hazard statements
- H341
- Precautionary statements
- P201-P202-P280-P308+P313-P405-P501
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationPesticides designed to control insects that are harmful to man. The insects may be directly harmful, as those acting as disease vectors, or indirectly harmful, as destroyers of crops, food products, or textile fabrics.
Uses & manufacturing
General Manufacturing Information2H-1-Benzopyran, 6,7-dimethoxy-2,2-dimethyl-: INACTIVE
Applications
UsesAnti-juvenile hormones found in plants that induce reversible precocious metamorphosis and sterilization in insects by suppressing the function of the corpora allata gland.
Additional notes
DefinitionChEBI: Precocene II is a member of chromenes. It has a role as a member of precocenes.
Related reactions
2 records
Compound notes
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