2-Methoxy-4A-methyl-4A,5,8,8A-tetrahydro-(1,4)naphthoquinone
Basic information
- CAS
13120-69-9- Standard SMILES
COC1=CC(=O)C2(C)CC=CCC2C1=O- InChIKey
BWRSBDNPEDAAMK-UHFFFAOYSA-N- Molecular formula
- C12H14O3
- Average molar mass
- 206.24 g/mol
- Monoisotopic mass
- 206.0942943
Names & identifiers
- Preferred name
- 2-Methoxy-4A-methyl-4A,5,8,8A-tetrahydro-(1,4)naphthoquinone
- IUPAC
- 3-methoxy-8a-methyl-5,8-dihydro-4aH-naphthalene-1,4-dione
- English name
- 2-methoxy-4a-methyl-1,4,4a,5,8,8a-hexahydronaphthalene-1,4-dione
- Molecular formula
- C12H14O3
- Molecular weight
- 206.23776
Names & synonyms
13120-69-9RefChem:4744172-methoxy-4a-methyl-4a,5,8,8a-tetrahydro-(1,4)naphthoquinone682-981-02-methoxy-4a-methyl-4a,5,8,8a-tetrahydronaphthalene-1,4-dioneNSC516514ghl.PD_Mitscher_leg0.1011AKOS024322772NSC-5165142-methoxy-4a-methyl-4a,5,8,8a-tetrahydro-1,4-naphthalenedione2-methoxy-4a-methyl-1,4,4a,5,8,8a-hexahydronaphthalene-1,4-dione
Database identifiers
- CAS
13120-69-9- PubChem CID
- 350892
- EC Number
- 682-981-0
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 378
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-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
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, 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.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…