Basic information
- CAS
19780-42-8- Standard SMILES
CCCC(O)C(CC)CC- InChIKey
TVEJPDXJKNOLDQ-UHFFFAOYSA-N- Molecular formula
- C9H20O
- Average molar mass
- 144.25 g/mol
- Monoisotopic mass
- 144.15141526
Names & identifiers
- Preferred name
- 4-Heptanol, 3-ethyl-
- IUPAC
- 3-ethylheptan-4-ol
- English name
- 3-Ethyl-4-heptanol
- Molecular formula
- C9H20O
- Molecular weight
- 144.25
Names & synonyms
3-Ethyl-4-heptanol4-Heptanol, 3-ethyl-DTXSID00885096RefChem:99079DTXCID001024499TVEJPDXJKNOLDQ-UHFFFAOYSA-N3-ethylheptan-4-ol19780-42-8SCHEMBL3159178SCHEMBL5556231AKOS0132085943-ethyl-heptan-4-ol
Database identifiers
- CAS
19780-42-8- PubChem CID
- 89222
- DTXSID
DTXSID00885096- Nikkaji
- J422.047A
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 67.1
Physicochemical properties
- Boiling point
- 189.1 · 189.1±8.0 °C(Predicted)
- Density
- 0.822 · 0.822±0.06 g/cm3(Predicted)
- pka
- 15.12 · 15.12±0.20(Predicted)
- EPA Substance Registry System
- 4 · 4-Heptanol, 3-ethyl- (19780-42-8)
- 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 Information4-Heptanol, 3-ethyl-: INACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers4 total
HONEST JOY HOLDINGS LIMITED[email protected]
Carbone Scientific CO., LTD[email protected]
CHEMSAMPCO[email protected]
3B Scientific Corporation[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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