Basic information
- CAS
60302-30-9- Standard SMILES
CCOC(=O)C(C)CC(C)(C)C- InChIKey
VRMZGUKRQVZNCO-UHFFFAOYSA-N- Molecular formula
- C10H20O2
- Average molar mass
- 172.26 g/mol
- Monoisotopic mass
- 172.14632988
Names & identifiers
- Preferred name
- Pentanoic acid, 2,4,4-trimethyl-, ethyl ester
- IUPAC
- ethyl 2,4,4-trimethylpentanoate
- English name
- Pentanoic acid, 2,4,4-trimethyl-, ethyl ester
- Molecular formula
- C10H20O2
- Molecular weight
- 172.26
Names & synonyms
60302-30-9Pentanoic acid, 2,4,4-trimethyl-, ethyl esterDTXSID40452069RefChem:368164DTXCID00402888Ethyl 2,4,4-trimethylpentanoateSCHEMBL28291065EN300-6474137
Database identifiers
- CAS
60302-30-9- PubChem CID
- 11019331
- DTXSID
DTXSID40452069
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 144
Physicochemical properties
- Boiling point
- 176.8 °C · 176.8 °C(Press: 734 Torr)
- Density
- 0.8586 g/cm3 · 0.8586 g/cm3
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
上海创焰化学科技有限公司021-11111111 11111111111 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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