Basic information
- CAS
110507-98-7- Standard SMILES
CCC[C@@H](C)C[C@@H](C)CO- InChIKey
HVRFWRROUIDGQO-RKDXNWHRSA-N- Molecular formula
- C9H20O
- Average molar mass
- 144.25 g/mol
- Monoisotopic mass
- 144.15141526
Names & identifiers
- Preferred name
- 1-Heptanol, 2,4-dimethyl-, (R,R)-(+)-
- IUPAC
- (2R,4R)-2,4-dimethylheptan-1-ol
- English name
- (R,R)-(+)-2,4-dimethylheptan-1-ol
- Molecular formula
- C9H20O
- Molecular weight
- 144.25
Names & synonyms
1-Heptanol, 2,4-dimethyl-, (R,R)-(+)-RefChem:432937(2r,4r)-2,4-dimethylheptan-1-ol18450-73-2(R,R)-(+)-2,4-Dimethylheptan-1-olJ2CT79XGL4O8ZLE82Z8B2,4-Dimethyl-1-heptanol, (2R,4R)-1-Heptanol, 2,4-dimethyl-, (2R,4R)-rel-2,4-Dimethyl-1-heptanol, (2R,4R)-(+/-)-2,4-Dimethylheptan-1-ol, (2R,4R)-(+/-)-110507-98-7
Show more names
1-Heptanol, 2,4-dimethyl-, (2R,4R)-[2R,4R,(+)]-2,4-Dimethyl-1-heptanol
2,4-Dimethyl-1-heptanol #EINECS 242-335-7(2R,4R)-2,4-Dimethyl-1-heptanolUNII-J2CT79XGL4UNII-O8ZLE82Z8BDTXSID40171581NS000260562,4-DIMETHYLHEPTAN-1-OL, (2R,4R)-
Database identifiers
- CAS
110507-98-7、18450-73-2- PubChem CID
- 87650
- DTXSID
DTXSID40171581- UNII
- J2CT79XGL4、O8ZLE82Z8B
- EC Number
- 242-335-7
- Nikkaji
- J101.307F
Properties
Computed structural properties
- XLogP
- 3.1
- 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
- 71.1
Physicochemical properties
- Boiling point
- 189.1 · 189.1±8.0 °C(Predicted)
- Density
- 0.822 · 0.822±0.06 g/cm3(Predicted)
- pka
- 15.02 · 15.02±0.10(Predicted)
- FDA UNII
- 8 ZLE82Z8B · O8ZLE82Z8B
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: 1-Heptanol, 2,4-dimethyl-, (R,R)-(+)-
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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