Boric acid, tris(3,5-dimethyl-4-heptyl) ester
Basic information
- CAS
73758-18-6- Standard SMILES
CCC(C)C(OB(OC(C(C)CC)C(C)CC)OC(C(C)CC)C(C)CC)C(C)CC- InChIKey
DALDOQDZVZPDLY-UHFFFAOYSA-N- Molecular formula
- C27H57BO3
- Average molar mass
- 440.6 g/mol
- Monoisotopic mass
- 440.4400758
Names & identifiers
- Preferred name
- Boric acid, tris(3,5-dimethyl-4-heptyl) ester
- IUPAC
- tris(3,5-dimethylheptan-4-yl) borate
- English name
- Tris[1-(1-methylpropyl)-2-methylbutoxy]borane
- Molecular weight
- 0
Names & synonyms
BORIC ACID, TRIS(3,5-DIMETHYL-4-HEPTYL) ESTERRefChem:1080093Tri(diisobutylcarbinyl) borate73758-18-6Tris(3,5-dimethyl-4-heptyl) boratetris(3,5-dimethylheptan-4-yl) borateSCHEMBL718591DTXSID10994648NSC59765NSC 59765NSC-59765Boric acid,5-dimethyl-4-heptyl) ester
Show more names
Tris[1-(1-methylpropyl)-2-methylbutoxy]borane
4-Heptanol,5-dimethyl-, triester with boric acid (H3BO3)
Database identifiers
- CAS
73758-18-6- PubChem CID
- 52398
- DTXSID
DTXSID10994648- Nikkaji
- J78.089H
Properties
Computed structural properties
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 18
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 341
Physicochemical properties
- Melting point
- 99.5 °C · 99.5°C
- Boiling point
- 198 · 198-209°C
- form
- solid
- color
- White crystals
- Odor
- odor of diisobutyl carbinol
- Toxicity
- 10 mg · eye-rbt 10 mg MOD 14KTAK -,706,64
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
- Toxicity
- eye-rbt 10 mg MOD 14KTAK -,706,64
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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