2-Octanol, triester with boric acid (H3BO3)
Basic information
- CAS
24848-81-5- Standard SMILES
CCCCCCC(C)OB(OC(C)CCCCCC)OC(C)CCCCCC- InChIKey
CNZRYPUWXCLTAW-UHFFFAOYSA-N- Molecular formula
- C24H51BO3
- Average molar mass
- 398.5 g/mol
- Monoisotopic mass
- 398.3931257
Names & identifiers
- Preferred name
- 2-Octanol, triester with boric acid (H3BO3)
- IUPAC
- trioctan-2-yl borate
- English name
- Boric acid tris(1-methylheptyl) ester
- Molecular formula
- C24H51BO3
- Molecular weight
- 398.47
Names & synonyms
24848-81-52-Octanol, triester with boric acid (H3BO3)RefChem:1063963Tri(octan-2-yl) borateBORIC ACID, TRIS(1-METHYLHEPTYL) ESTERTri(2-octyl)borateTri-2-octyl boratetrioctan-2-yl borateTRI-(2-OCTYL) BORATE2-Octanol, borateNSC 97596BRN 1727960
Show more names
2-OCTYL BORATECNZRYPUWXCLTAW-UHFFFAOYSA-NBoric acid tris(1-methylheptyl) ester2-Octanol, triester with boric acid (H3BO3) (9CI)
starbld0018113tris(1-methylheptyl) borate4-01-00-01776 (Beilstein Handbook Reference)SCHEMBL718102DTXSID30947752NSC97596NSC-97596AKOS024429123
Database identifiers
- CAS
24848-81-5- PubChem CID
- 32712
- DTXSID
DTXSID30947752- Nikkaji
- J42.789F
Properties
Computed structural properties
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 21
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 267
Physicochemical properties
- Boiling point
- 350 °C · 350°C (estimate)
- Density
- 0.852 · 0.852 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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