Basic information
- CAS
27944-79-2- Standard SMILES
CC(C)CC(C)C=O- InChIKey
GPTMCJMLSOIYGU-UHFFFAOYSA-N- Molecular formula
- C7H14O
- Average molar mass
- 114.19 g/mol
- Monoisotopic mass
- 114.10446507
Names & identifiers
- Preferred name
- 2,4-Dimethylpentanal
- IUPAC
- 2,4-dimethylpentanal
- English name
- 2,4-dimethylpentanal
- Molecular formula
- C7H14O
- Molecular weight
- 114.19
Names & synonyms
2,4-DIMETHYLPENTANALPentanal, 2,4-dimethyl-Valeraldehyde, 2,4-dimethyl-NSC 523741RefChem:82543968-990-5GPTMCJMLSOIYGU-UHFFFAOYSA-N27944-79-2MFCD007985935DE7YF56LCNSC-523741NSC523741
Show more names
2,4-Dimethylvaleraldehyde
Pentanal,4-dimethyl-Valeraldehyde,4-dimethyl-UNII-5DE7YF56LCSCHEMBL195346SCHEMBL270873SCHEMBL10627711SCHEMBL27725950CBA94479
Database identifiers
- CAS
27944-79-2- PubChem CID
- 34072
- UNII
- 5DE7YF56LC
- EC Number
- 968-990-5
- Nikkaji
- J110.461F
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 66.8
Physicochemical properties
- Melting point
- -43.35 °C · -43.35°C (estimate)
- Boiling point
- 143.73 °C · 143.73°C (estimate)
- Density
- 0.8225 · 0.8225 (estimate)
- refractive index
- 1.4108 · 1.4108 (estimate)
- FDA UNII
- 5 DE7YF56LC · 5DE7YF56LC
- 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.
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…