Basic information
- CAS
52304-17-3- Standard SMILES
CC(C)COC(=O)N(CO)CO- InChIKey
SINROXZVULQBQU-UHFFFAOYSA-N- Molecular formula
- C7H15NO4
- Average molar mass
- 177.2 g/mol
- Monoisotopic mass
- 177.10010796
Names & identifiers
- Preferred name
- Isobutyl dimethylolcarbamate
- IUPAC
- 2-methylpropyl N,N-bis(hydroxymethyl)carbamate
- English name
- isobutyl bis(hydroxymethyl)carbamate
- Molecular formula
- C7H15NO4
- Molecular weight
- 177.2
Names & synonyms
Isobutyl N,N-dimethylolcarbamateIsobutyl bis(hydroxymethyl)carbamateISOBUTYL DIMETHYLOLCARBAMATEUNII-54L8P634IMHSDB 6169EINECS 257-832-4DTXSID0068735ISOBUTYL DIMETHYLOLCARBAMATE [HSDB]Carbamic acid, N,N-bis(hydroxymethyl)-, 2-methylpropyl esterRefChem:149082Isobutyl N,NdimethylolcarbamateDTXCID3041166
Show more names
2-methylpropyl N,N-bis(hydroxymethyl)carbamateN,N-Bis(hydroxymethyl)carbamic acid 2-methylpropyl ester
Carbamic acid, bis(hydroxymethyl), 2methylpropyl esterCarbamic acid, N,Nbis(hydroxymethyl), 2methylpropyl ester257-832-452304-17-3Dimethylol isobutyl carbamate54L8P634IMCarbamic acid, bis(hydroxymethyl)-, 2-methylpropyl esterSCHEMBL10578595
Database identifiers
- CAS
52304-17-3- PubChem CID
- 40311
- DTXSID
DTXSID0068735- UNII
- 54L8P634IM
- EC Number
- 257-832-4
- Nikkaji
- J295.632B
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 133
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Carbamic Acid Esters
Physicochemical properties
- Boiling point
- 276.2 · 276.2±33.0 °C(Predicted)
- Density
- 1.179 · 1.179±0.06 g/cm3(Predicted)
- pka
- 13.23 · 13.23±0.10(Predicted)
- FDA UNII
- 54 L8P634IM · 54L8P634IM
- EPA Substance Registry System
- Isobutyl N,N-dimethylolcarbamate (52304-17-3)
- TSCA
- TSCA listed
- Hazardous Substances Data
- 52304 · 52304-17-3(Hazardous Substances Data)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
- Hazardous Substances Data
- 52304-17-3(Hazardous Substances Data)
Chemistry & industry
Uses & manufacturing
Uses
Used as durable press textile finish for cotton and its blends; [HSDB]
Textiles (Printing, Dyeing, or Finishing) [Category: Industry]
DURABLE PRESS TEXTILE FINISH FOR COTTON & ITS BLENDS
U.S. Exports
(1979) No Data
(1981) No Data
U.S. Imports
(1979) No Data
(1981) No Data
U.S. Production
(1977) AT LEAST 4.54X10+8 GRAMS
(1981) No Data
Methods of ManufacturingREACTION OF UREA WITH ISOBUTYL ALCOHOL FOLLOWED BY REACTION WITH FORMALDEHYDE (PRODUCT IS PROBABLY A MIXT OF N-METHYLOL & N,N-DIMETHYLOL ISOBUTYL CARBAMATES)
General Manufacturing InformationCarbamic acid, N,N-bis(hydroxymethyl)-, 2-methylpropyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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