Basic information
- CAS
2597-54-8- Standard SMILES
CCOC(=O)NC(C)=O- InChIKey
CLLOFODTUXGHHT-UHFFFAOYSA-N- Molecular formula
- C5H9NO3
- Average molar mass
- 131.13 g/mol
- Monoisotopic mass
- 131.05824315
Names & identifiers
- Preferred name
- N-Acetylethylcarbamate
- IUPAC
- ethyl N-acetylcarbamate
- English name
- Acetylurethane
- Molecular formula
- C5H9NO3
- Molecular weight
- 131.13
Names & synonyms
AcetylurethaneEthyl N-acetylcarbamate2597-54-8N-AcetylurethaneN-Acetyl ethyl carbamateCARBAMIC ACID, ACETYL-, ETHYL ESTERN-AcetylethylcarbamateNSC 60212Carbamic acid, N-acetyl-, ethyl esterBRN 1704043AI3-61910I8F18KW903
Show more names
ethyln-acetylcarbamateethyl N-ethanoylcarbamateacetyl-carbamicaciethylesterAcetylcarbamic acid ethyl esterN-Acetylcarbamic acid ethyl ester
NSC-60212DTXSID601806354-03-00-00048 (Beilstein Handbook Reference)RefChem:828906DTXCID00103126636-754-8Ethyl acetylcarbamateAcetylurethan
Database identifiers
- CAS
2597-54-8- PubChem CID
- 17436
- DTXSID
DTXSID60180635- UNII
- I8F18KW903
- EC Number
- 636-754-8
- Nikkaji
- J7.625B
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 121
Physicochemical properties
- Melting point
- 76 · 76-77 °C
- Boiling point
- 261.22 °C · 261.22°C (rough estimate)
- Density
- 1.3075 · 1.3075 (rough estimate)
- refractive index
- 1.486 · 1.4860 (estimate)
- pka
- 8.57 · 8.57±0.46(Predicted)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 8 F18KW903 · I8F18KW903
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (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
Regulatory InformationCarbamic acid, acetyl-, ethyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers3 total
范德(北京)生物科技有限责任公司15911056312 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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