Ethyl 2-Isocyanato-4-Methylvalerate
Completing data — refresh the page later to see the latest
Basic information
- CAS
64505-10-8- Standard SMILES
CCOC(=O)C(CC(C)C)N=C=O- InChIKey
SSTQICMSRVMLQN-UHFFFAOYSA-N- Molecular formula
- C9H15NO3
- Average molar mass
- 185.22 g/mol
- Monoisotopic mass
- 185.10519334
Names & identifiers
- Preferred name
- Ethyl 2-Isocyanato-4-Methylvalerate
- IUPAC
- ethyl 2-isocyanato-4-methylpentanoate
- English name
- ETHYL 2-ISOCYANATO-4-METHYLVALERATE
- Molecular formula
- C9H15NO3
- Molecular weight
- 185.22
Names & synonyms
Ethyl 2-Isocyanato-4-Methylvalerate64505-10-8DTXSID30334860RefChem:342865DTXCID30285949Ethyl 2-isocyanato-4-methylpentanoate90609-13-5Ethyl 2-isocyanato-4-methyl valerateSCHEMBL1278884Ethyl N-(oxomethylidene)leucinateEthyl 2-isocyanato-4-methylpentanoate #DB-230368
Show more names
Ethyl-2-isocyanato-4-methylvalerate 97%2-isocyanato-4-methylvaleric acid ethyl esterPentanoic acid, 2-isocyanato-4-methyl-, ethyl ester, (2S)-Ethyl 2-isocyanato-4-methylpentanoate~2-Isocyanato-4-methylvaleric acid ethyl ester
Database identifiers
- CAS
64505-10-8- PubChem CID
- 522132
- DTXSID
DTXSID30334860- EC Number
- 677-435-3
- Nikkaji
- J1.915.923J
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 55.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 207
Physicochemical properties
- Boiling point
- 92 · 92-93°C 8mm
- Density
- 1.02 · 1.02±0.1 g/cm3(Predicted)
- refractive index
- 1.43 · 1.4300
- Flash point
- 92 · 92-93°C/8mm
- Sensitive
- Moisture Sensitive
- BRN
- 1240785 · 1240785
- CAS DataBase Reference
- 64505 · 64505-10-8
- Symbol(GHS)
- 6 · GHS06,GHS08
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H331-H334-H335
- Precautionary statements
- 261 · P261-P280a-P284-P305+P351+P338-P405-P501a
- Risk Statements
- 20 · 20/22-36/37/38-42
- Safety Statements
- 23 · 23-26-36/37/39-45
- RIDADR
- 2206 · 2206
- HazardClass
- 6.1 · 6.1
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Safety data
- ridadr
- 2206
- risk_code
- 20/22-36/37/38-42
- Signal word
- Warning
- Symbol(GHS)
- GHS06,GHS08
- safety_code
- 23-26-36/37/39-45
- hazard_class
- 6.1
- packing_group
- III
- Hazard statements
- H302-H315-H319-H331-H334-H335
- Precautionary statements
- P261-P280a-P284-P305+P351+P338-P405-P501a
Related reactions
6 records
Compound notes
Loading…