Isobutyl carbamate
Basic information
- CAS
543-28-2- Standard SMILES
CC(C)COC(N)=O- InChIKey
BRUZQRBVNRKLJG-UHFFFAOYSA-N- Molecular formula
- C5H11NO2
- Average molar mass
- 117.15 g/mol
- Monoisotopic mass
- 117.07897859
Names & identifiers
- Preferred name
- Isobutyl carbamate
- IUPAC
- 2-methylpropyl carbamate
- English name
- isobutyl carbamate
- Molecular formula
- C5H11NO2
- Molecular weight
- 117.15
Names & synonyms
ISOBUTYL CARBAMATE2-methylpropyl carbamate543-28-2Carbamic acid, 2-methylpropyl esterCarbamic acid, isobutyl ester2T9125IDNUEINECS 208-841-7NSC 31187NSC-31187ISOBUTYL CARBAMATE [MI]DTXSID6060262RefChem:791623
Show more names
Carbamic acid isobutylCarbamic acid isobutyl ester
DTXCID7041673Carbamic acid, isobutyl ester (8CI)208-841-7UNII-2T9125IDNUcarbaminsaures IsobutylSCHEMBL42754SCHEMBL42755SCHEMBL4724903
Database identifiers
- CAS
543-28-2- PubChem CID
- 10973
- DTXSID
DTXSID6060262- ChEMBL
CHEMBL3276741- UNII
- 2T9125IDNU
- EC Number
- 208-841-7
- Nikkaji
- J1.604G
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 80.5
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
LogP0.98
Physicochemical properties
- Melting point
- 67 °; · 67°; also stated at 61°
- Boiling point
- 206 · bp 206-207°
- Density
- 0.956 · 0.956
- refractive index
- 1.4098 · 1.4098
- Water Solubility
- 58.57 g/L · 58.57g/L(37 ºC)
- FDA UNII
- 2 T9125IDNU · 2T9125IDNU
- EPA Substance Registry System
- 2 · Carbamic acid, 2-methylpropyl ester (543-28-2)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCarbamic acid, 2-methylpropyl ester: INACTIVE
Upstream & downstream products
Downstream products
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
3 records
Compound notes
Loading…