2,2-Dimethylvaleraldehyde
Basic information
- CAS
14250-88-5- Standard SMILES
CCCC(C)(C)C=O- InChIKey
YMXAGOUPXPGFLB-UHFFFAOYSA-N- Molecular formula
- C7H14O
- Average molar mass
- 114.19 g/mol
- Monoisotopic mass
- 114.10446507
Names & identifiers
- Preferred name
- 2,2-Dimethylvaleraldehyde
- IUPAC
- 2,2-dimethylpentanal
- English name
- 2,2-dimethylvaleraldehyde
- Molecular formula
- C7H14O
- Molecular weight
- 114.19
Names & synonyms
2,2-Dimethylpentanal2,2-Dimethylvaleraldehyde14250-88-5Pentanal, 2,2-dimethyl-EINECS 238-124-4AI3-28317DTXSID90162065RefChem:441486DTXCID1084556238-124-4Valeraldehyde, 2,2-dimethyl-2,2-dimethyl-pentanal
Show more names
2,2-Dimethylpentanal #SCHEMBL270059SCHEMBL2700605RZZ7FD395SCHEMBL19971106SCHEMBL28395725AKOS022632837DB-023414
Database identifiers
- CAS
14250-88-5- PubChem CID
- 84292
- DTXSID
DTXSID90162065- UNII
- 5RZZ7FD395
- EC Number
- 238-124-4
- Nikkaji
- J99.914H
Properties
Computed structural properties
- XLogP
- 2
- 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
- 74.5
Physicochemical properties
- Melting point
- -43.35 °C · -43.35°C (estimate)
- Boiling point
- 136 ℃ · 136℃
- Density
- 0.807 · 0.807
- refractive index
- 1.4111 · 1.4111 (estimate)
- Flash point
- 25 ℃ · 25℃
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
H225 (100%): Highly Flammable liquid and vapor [Danger 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. 2 (100%)
Related reactions
1 records
Compound notes
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