Basic information
- CAS
6626-32-0- Standard SMILES
CCCc1cccc(CCC)c1O- InChIKey
NAILKKRDWBJCNH-UHFFFAOYSA-N- Molecular formula
- C12H18O
- Average molar mass
- 178.27 g/mol
- Monoisotopic mass
- 178.1357652
Names & identifiers
- Preferred name
- 2,6-Dipropylphenol
- IUPAC
- 2,6-dipropylphenol
- English name
- 2,6-dipropylphenol
- Molecular formula
- C12H18O
- Molecular weight
- 178.27
Names & synonyms
2,6-DipropylphenolPhenol, 2,6-dipropyl-6626-32-0FQ8M7865LANSC-59848DTXSID10216458RefChem:83363DTXCID10138949NSC 59848BRN 2440905NSC598482,6-di-n-propylphenol
Show more names
UNII-FQ8M7865LA3-06-00-02013 (Beilstein Handbook Reference)CHEMBL30094SCHEMBL674691SCHEMBL6544890SCHEMBL7309326SCHEMBL9238909
Database identifiers
- CAS
6626-32-0- PubChem CID
- 81107
- DTXSID
DTXSID10216458- ChEMBL
CHEMBL30094- UNII
- FQ8M7865LA
- Nikkaji
- J141.404F
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 119
Physicochemical properties
- Melting point
- 27 °C · 27°C
- Boiling point
- 260.36 °C · 260.36°C (estimate)
- Density
- 0.962 · 0.9620
- refractive index
- 1.5091 · 1.5091 (estimate)
- pka
- 11 · 11.00±0.10(Predicted)
- Water Solubility
- 25 mg/L · 25mg/L(25 ºC)
- FDA UNII
- 8 M7865LA · FQ8M7865LA
- RIDADR
- 2810 · 2810
- HazardClass
- 6.1 · 6.1(b)
- PackingGroup
- III
Safety & regulation
Safety data
- ridadr
- 2810
- hazard_class
- 6.1(b)
- packing_group
- III
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
3 records
Compound notes
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