Basic information
- CAS
16809-53-3- Standard SMILES
Cc1cc(OCC[NH+](C)C)c(C(C)C)cc1O.[Cl-]- InChIKey
AIDBABSBOSQTRQ-UHFFFAOYSA-N- Molecular formula
- C14H24ClNO2
- Average molar mass
- 273.8 g/mol
- Monoisotopic mass
- 273.1495567
Names & identifiers
- Preferred name
- 2-(4-Hydroxy-5-methyl-2-propan-2-ylphenoxy)ethyl-dimethylazanium;chloride
- IUPAC
- 2-(4-hydroxy-5-methyl-2-propan-2-ylphenoxy)ethyl-dimethylazanium chloride
Names & synonyms
2-(4-hydroxy-5-methyl-2-propan-2-ylphenoxy)ethyl-dimethylazanium;chlorideRefChem:457785975-802-5Deacetylmoxisylyte hydrochlorideWV 760O-Deacetylmoxisylyte hydrochloride4-(beta-Dimethylaminoethoxy)carvacrol hydrochlorideCARVACROL, 4-(beta-DIMETHYLAMINOETHOXY)-, HYDROCHLORIDEPhenol, 4-(2-(dimethylamino)ethoxy)-2-methyl-5-(1-methylethyl)-, hydrochlorideCarvacrol, 5-(2-(dimethylamino)ethoxy)-, hydrochloride
Database identifiers
- CAS
16809-53-3- PubChem CID
- 28092
- EC Number
- 975-802-5
Properties
Computed structural properties
- Topological polar surface area
- 33.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 218
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, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, 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 CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…