2-Propylpentanal
Basic information
- CAS
18295-59-5- Standard SMILES
CCCC(C=O)CCC- InChIKey
BAUHZKXBGXCLBO-UHFFFAOYSA-N- Molecular formula
- C8H16O
- Average molar mass
- 128.21 g/mol
- Monoisotopic mass
- 128.12011513
Names & identifiers
- Preferred name
- 2-Propylpentanal
- IUPAC
- 2-propylpentanal
- English name
- 2-Propyl valeraldehyde
- Molecular formula
- C8H16O
- Molecular weight
- 128.21
Names & synonyms
2-Propylpentanal18295-59-52-PropylvaleraldehydeDTXSID20171362RefChem:1064600DTXCID4093853242-173-72-PROPYL VALERALDEHYDEPentanal, 2-propyl-2-Propyl PentyraldehydeEINECS 242-173-72-propyl-pentanal
Show more names
2-propyl pentanalMFCD02094289PROPYLPENTANAL2-n-propylvaleraldehyde2-propyl-1-pentaldehyde2-Propylpentanal, AldrichCPRSCHEMBL514687SCHEMBL514688
Database identifiers
- CAS
18295-59-5- PubChem CID
- 87560
- DTXSID
DTXSID20171362- UNII
- L3Z586RE3E
- EC Number
- 242-173-7
- Nikkaji
- J266.104G
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 63
Physicochemical properties
- Melting point
- 13.5 °C · 13.5°C (estimate)
- Boiling point
- 78 · 78-81°C@150mm Hg
- Density
- 0.8347 · 0.8347
- refractive index
- 1.4142 · 1.4142
- storage temp.
- Refrigerator
- solubility
- Dichloromethane (Slightly), Chloroform (Slightly), Ethyl Acetate (Slightly)
- form
- Oil
- color
- Colourless to Yellow
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Chemistry & industry
Applications
UsesAn interesting synthetic intermediate
Suppliers
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Related reactions
6 records
Compound notes
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