Pentanal, 3-ethoxy-4-methyl-
Basic information
- CAS
68084-08-2- Standard SMILES
CCOC(CC=O)C(C)C- InChIKey
BJRVNLMGJUBQLM-UHFFFAOYSA-N- Molecular formula
- C8H16O2
- Average molar mass
- 144.21 g/mol
- Monoisotopic mass
- 144.11502975
Names & identifiers
- Preferred name
- Pentanal, 3-ethoxy-4-methyl-
- IUPAC
- 3-ethoxy-4-methylpentanal
- English name
- 3-ethoxy-4-methylvaleraldehyde
- Molecular formula
- C8H16O2
- Molecular weight
- 144.21
Names & synonyms
3-Ethoxy-4-methylpentanalPentanal, 3-ethoxy-4-methyl-68084-08-2EINECS 268-420-9DTXSID30887144RefChem:171412DTXCID0010264573-Ethoxy-4-methylvaleraldehydeBJRVNLMGJUBQLM-UHFFFAOYSA-NNS00063077
Database identifiers
- CAS
68084-08-2- PubChem CID
- 107101
- DTXSID
DTXSID30887144- EC Number
- 268-420-9
- Nikkaji
- J289.027E
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 89.3
Physicochemical properties
- Boiling point
- 61 · 61-63 °C(Press: 12 Torr)
- Density
- 1.4186 g/cm3 · 1.4186 g/cm3
- EPA Substance Registry System
- 3 · Pentanal, 3-ethoxy-4-methyl- (68084-08-2)
- TSCA
- TSCA listed
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
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPentanal, 3-ethoxy-4-methyl-: INACTIVE
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Related reactions
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Compound notes
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