Butyl N-(2,4-xylyl)carbamate
Basic information
- CAS
113579-11-6- Standard SMILES
CCCCOC(=O)Nc1ccc(C)cc1C- InChIKey
JRICEOSBCKGWME-UHFFFAOYSA-N- Molecular formula
- C13H19NO2
- Average molar mass
- 221.29 g/mol
- Monoisotopic mass
- 221.14157885
Names & identifiers
- Preferred name
- Butyl N-(2,4-xylyl)carbamate
- IUPAC
- butyl N-(2,4-dimethylphenyl)carbamate
- English name
- AURORA 7714
- Molecular formula
- C13H19NO2
- Molecular weight
- 221.3
Names & synonyms
113579-11-6BUTYL N-(2,4-XYLYL)CARBAMATERefChem:571755665-666-2butyl (2,4-dimethylphenyl)carbamateCarbamic acid, 2,4-dimethylphenyl, butyl esterbutyl N-(2,4-dimethylphenyl)carbamateCambridge id 6641770JRICEOSBCKGWME-UHFFFAOYSA-NDTXSID101377100AKOS002266468N-(2,4-dimethylphenyl)butoxycarboxamide
Show more names
AURORA 7714Carbamic acid, (2,4-dimethylphenyl)-, butyl ester (9CI)
ST50190077AB00113772-01SR-01000240055SR-01000240055-1
Database identifiers
- CAS
113579-11-6- PubChem CID
- 528083
- DTXSID
DTXSID101377100- EC Number
- 665-666-2
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 218
Physicochemical properties
- Boiling point
- 279.3 · 279.3±29.0 °C(Predicted)
- Density
- 1.049 · 1.049±0.06 g/cm3(Predicted)
- pka
- 13.88 · 13.88±0.70(Predicted)
- Hazard statements
- 413 · H413
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
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, 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 CategoriesAquatic Chronic 4 (100%)
Safety data
- Hazard statements
- H413
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…